6-hydroxy-3-phenyl-2-phenylmethoxybenzoic acid;phenylmethanol

C27H24O5 — CID 174745981

IUPAC6-hydroxy-3-phenyl-2-phenylmethoxybenzoic acid;phenylmethanol
SMILESO=C(O)c1c(O)ccc(-c2ccccc2)c1OCc1ccccc1.OCc1ccccc1
InChIInChI=1S/C20H16O4.C7H8O/c21-17-12-11-16(15-9-5-2-6-10-15)19(18(17)20(22)23)24-13-14-7-3-1-4-8-14;8-6-7-4-2-1-3-5-7/h1-12,21H,13H2,(H,22,23);1-5,8H,6H2
InChIKeyFEICUENTVCQVNY-UHFFFAOYSA-N
MW428.48 g/mol
LogP5.52
Rot. Bonds6

About 6-hydroxy-3-phenyl-2-phenylmethoxybenzoic acid;phenylmethanol

6-hydroxy-3-phenyl-2-phenylmethoxybenzoic acid;phenylmethanol (PubChem CID 174745981) has the molecular formula C27H24O5 and a molecular weight of 428.48 g/mol. Its IUPAC name is 6-hydroxy-3-phenyl-2-phenylmethoxybenzoic acid;phenylmethanol.

Molecular Properties

Compound Name6-hydroxy-3-phenyl-2-phenylmethoxybenzoic acid;phenylmethanol
PubChem CID174745981
Molecular FormulaC27H24O5
Molecular Weight428.48 g/mol
Exact Mass428.16
IUPAC Name6-hydroxy-3-phenyl-2-phenylmethoxybenzoic acid;phenylmethanol
SMILESO=C(O)c1c(O)ccc(-c2ccccc2)c1OCc1ccccc1.OCc1ccccc1
InChIInChI=1S/C20H16O4.C7H8O/c21-17-12-11-16(15-9-5-2-6-10-15)19(18(17)20(22)23)24-13-14-7-3-1-4-8-14;8-6-7-4-2-1-3-5-7/h1-12,21H,13H2,(H,22,23);1-5,8H,6H2
InChIKeyFEICUENTVCQVNY-UHFFFAOYSA-N
XLogP5.52
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.48
LogP ≤ 55.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

CID 6334341
CID 6334341
2-phenylmethoxybenzene-1,3-diol
CID 15652625
2-phenyl-5-phenylmethoxyphenol
CID 123808909
3-hydroxy-2-phenylmethoxybenzoic acid
CID 67658329
phenoxymethylbenzene;2-phenylphenol
CID 159234068
3,5-dihydroxy-2-phenylmethoxybenzoic acid
CID 118873136
1-ethyl-3-phenyl-2-phenylmethoxybenzene
CID 123935467
3-(3-amino-2-phenylmethoxyphenyl)benzoic acid
CID 141486571
(3-phenyl-4-phenylmethoxyphenyl)methanol
CID 164896135
1-benzyl-3-phenyl-2-phenylmethoxybenzene
CID 58238649
9,10-dioxo-2-phenylmethoxyanthracene-1-carboxylic acid
CID 150017860
3-[3,5-dihydroxy-4-[[2-(hydroxymethyl)phenyl]methoxy]benzoyl]oxypropyl 3,5-dihydroxy-4-phenylmethoxybenzoate
CID 132556355

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3-phenyl-2-phenylmethoxybenzoic acid;phenylmethanol?
The IUPAC name of 6-hydroxy-3-phenyl-2-phenylmethoxybenzoic acid;phenylmethanol (CID 174745981) is 6-hydroxy-3-phenyl-2-phenylmethoxybenzoic acid;phenylmethanol.
What is the SMILES notation for 6-hydroxy-3-phenyl-2-phenylmethoxybenzoic acid;phenylmethanol?
The canonical SMILES for 6-hydroxy-3-phenyl-2-phenylmethoxybenzoic acid;phenylmethanol is O=C(O)c1c(O)ccc(-c2ccccc2)c1OCc1ccccc1.OCc1ccccc1.
What is the InChIKey of 6-hydroxy-3-phenyl-2-phenylmethoxybenzoic acid;phenylmethanol?
The InChIKey is FEICUENTVCQVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O4.C7H8O/c21-17-12-11-16(15-9-5-2-6-10-15)19(18(17)20(22)23)24-13-14-7-3-1-4-8-14;8-6-7-4-2-1-3-5-7/h1-12,21H,13H2,(H,22,23);1-5,8H,6H2.
What are the key properties of 6-hydroxy-3-phenyl-2-phenylmethoxybenzoic acid;phenylmethanol?
6-hydroxy-3-phenyl-2-phenylmethoxybenzoic acid;phenylmethanol has a molecular weight of 428.48 g/mol, XLogP of 5.52, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-3-phenyl-2-phenylmethoxybenzoic acid;phenylmethanol is sourced from PubChem (CID 174745981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).