(4-(Hydroxymethyl)phenyl)(phenyl)methanone - CAS 81449-01-6

Catalog:	BB061146
Product Name:	(4-(Hydroxymethyl)phenyl)(phenyl)methanone
CAS:	81449-01-6
Synonyms:	4-(Hydroxymethyl)benzophenone; [4-(Hydroxymethyl)phenyl]phenylmethanone; (4-Benzoylphenyl)methanol; 4-(Hydroxymethyl)benzophenone; 4-Benzoylbenzyl Alcohol; p-(Hydroxymethyl)benzophenone

Technical Data

IUPAC Name:	[4-(hydroxymethyl)phenyl]-phenylmethanone
Description:	(4-(Hydroxymethyl)phenyl)(phenyl)methanone can be useful in the synthesis of trifluoromethylaryl diazirine and benzophenone derivatives of etomidate that are potent general anesthetics and effective photolabels for probing sites on ligand-gated ion channels. It can be useful in the synthesis of protein crosslinkers and other probes for protein labeling.
Molecular Weight:	212.24
Molecular Formula:	C14H12O2
Canonical SMILES:	C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)CO
InChI:	InChI=1S/C14H12O2/c15-10-11-6-8-13(9-7-11)14(16)12-4-2-1-3-5-12/h1-9,15H,10H2
InChI Key:	YZHGHGHCDSLOBP-UHFFFAOYSA-N
References:	Husain, S. S., et al. J. Med. Chem., 49, 4818 (2006); Kaneda, M., et al. ChemBioChem, 8, 595 (2007); Oatis, J. E., et al. Tetrahedron Lett., 39, 1665 (1998); Chen, G., et al. J. Am. Chem. Soc., 125, 8130 (2003).

Complexity:	223
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	212.083729621
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	212.083729621
Rotatable Bond Count:	3
Topological Polar Surface Area:	37.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4