4-(3-Benzyloxyphenyl)-3-methylbenzoic acid - CAS 1261911-97-0
Catalog: |
BB055106 |
Product Name: |
4-(3-Benzyloxyphenyl)-3-methylbenzoic acid |
CAS: |
1261911-97-0 |
Synonyms: |
4-(3-BENZYLOXYPHENYL)-3-METHYLBENZOIC ACID; 3-methyl-4-(3-phenylmethoxyphenyl)benzoic acid; 3'-(Benzyloxy)-2-methyl-[1,1'-biphenyl]-4-carboxylic acid |
IUPAC Name: | 3-methyl-4-(3-phenylmethoxyphenyl)benzoic acid |
Description: | 4-(3-Benzyloxyphenyl)-3-methylbenzoic acid |
Molecular Weight: | 318.37 |
Molecular Formula: | C21H18O3 |
Canonical SMILES: | CC1=C(C=CC(=C1)C(=O)O)C2=CC(=CC=C2)OCC3=CC=CC=C3 |
InChI: | InChI=1S/C21H18O3/c1-15-12-18(21(22)23)10-11-20(15)17-8-5-9-19(13-17)24-14-16-6-3-2-4-7-16/h2-13H,14H2,1H3,(H,22,23) |
InChI Key: | CDXHSPZQHUCFFR-UHFFFAOYSA-N |
Complexity: | 402 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 318.125594432 |
Formal Charge: | 0 |
Heavy Atom Count: | 24 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 318.125594432 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 46.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.9 |
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