3-Benzyloxybenzyl alcohol - CAS 1700-30-7
Catalog: |
BB012600 |
Product Name: |
3-Benzyloxybenzyl alcohol |
CAS: |
1700-30-7 |
Synonyms: |
(3-phenylmethoxyphenyl)methanol |
IUPAC Name: | (3-phenylmethoxyphenyl)methanol |
Description: | 3-Benzyloxybenzyl alcohol (CAS# 1700-30-7) is a compound useful in organic synthesis. |
Molecular Weight: | 214.26 |
Molecular Formula: | C14H14O2 |
Canonical SMILES: | C1=CC=C(C=C1)COC2=CC=CC(=C2)CO |
InChI: | InChI=1S/C14H14O2/c15-10-13-7-4-8-14(9-13)16-11-12-5-2-1-3-6-12/h1-9,15H,10-11H2 |
InChI Key: | AFKLSWIRJUJWKY-UHFFFAOYSA-N |
Boiling Point: | 371.9 °C at 760 mmHg |
Density: | 1.139 g/cm3 |
Appearance: | White to light yellow crystal powde |
MDL: | MFCD00004642 |
LogP: | 2.75790 |
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PMID | Publication Date | Title | Journal |
21739961 | 20110819 | Biocatalytic organic synthesis of optically pure (S)-scoulerine and berbine and benzylisoquinoline alkaloids | The Journal of organic chemistry |
Complexity: | 187 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 214.099379685 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 214.099379685 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 29.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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