2-hydroxy-3-[1-(2-phenylmethoxyphenyl)propyl]benzoic acid

C23H22O4 — CID 67659398

IUPAC2-hydroxy-3-[1-(2-phenylmethoxyphenyl)propyl]benzoic acid
SMILESCCC(c1ccccc1OCc1ccccc1)c1cccc(C(=O)O)c1O
InChIInChI=1S/C23H22O4/c1-2-17(19-12-8-13-20(22(19)24)23(25)26)18-11-6-7-14-21(18)27-15-16-9-4-3-5-10-16/h3-14,17,24H,2,15H2,1H3,(H,25,26)
InChIKeyOKGZEHQVLIZDEC-UHFFFAOYSA-N
MW362.43 g/mol
LogP5.21
Rot. Bonds7

About 2-hydroxy-3-[1-(2-phenylmethoxyphenyl)propyl]benzoic acid

2-hydroxy-3-[1-(2-phenylmethoxyphenyl)propyl]benzoic acid (PubChem CID 67659398) has the molecular formula C23H22O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-hydroxy-3-[1-(2-phenylmethoxyphenyl)propyl]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[1-(2-phenylmethoxyphenyl)propyl]benzoic acid
PubChem CID67659398
Molecular FormulaC23H22O4
Molecular Weight362.43 g/mol
Exact Mass362.15
IUPAC Name2-hydroxy-3-[1-(2-phenylmethoxyphenyl)propyl]benzoic acid
SMILESCCC(c1ccccc1OCc1ccccc1)c1cccc(C(=O)O)c1O
InChIInChI=1S/C23H22O4/c1-2-17(19-12-8-13-20(22(19)24)23(25)26)18-11-6-7-14-21(18)27-15-16-9-4-3-5-10-16/h3-14,17,24H,2,15H2,1H3,(H,25,26)
InChIKeyOKGZEHQVLIZDEC-UHFFFAOYSA-N
XLogP5.21
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.43
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-3-[1-(2-phenylmethoxyphenyl)propyl]benzoic acid
CID 67658902
(1S)-1-(2-phenylmethoxyphenyl)propan-1-ol
CID 63365062
3-ethoxy-2-hydroxybenzoic acid
CID 13026922
2-phenyl-3-phenylmethoxybenzoic acid
CID 174811177
(2R)-2-(2-phenylmethoxyphenyl)propanoic acid
CID 129363475
3-hydroxy-2-phenylmethoxybenzoic acid
CID 67658329
2-[[3-[(2-carboxyphenoxy)methyl]phenyl]methoxy]benzoic acid
CID 71356398
(4S)-4-phenyl-4-(2-phenylmethoxyphenyl)butan-2-one
CID 59906121
2,2-dibromo-1-(2-phenylmethoxyphenyl)ethanone
CID 87515751
butan-2-yl 2-phenylmethoxybenzoate
CID 82186245
2-[(2-propan-2-ylphenoxy)methyl]benzoic acid
CID 20987862
methyl 2-(2-phenylmethoxyphenyl)propanoate
CID 54327103

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[1-(2-phenylmethoxyphenyl)propyl]benzoic acid?
The IUPAC name of 2-hydroxy-3-[1-(2-phenylmethoxyphenyl)propyl]benzoic acid (CID 67659398) is 2-hydroxy-3-[1-(2-phenylmethoxyphenyl)propyl]benzoic acid.
What is the SMILES notation for 2-hydroxy-3-[1-(2-phenylmethoxyphenyl)propyl]benzoic acid?
The canonical SMILES for 2-hydroxy-3-[1-(2-phenylmethoxyphenyl)propyl]benzoic acid is CCC(c1ccccc1OCc1ccccc1)c1cccc(C(=O)O)c1O.
What is the InChIKey of 2-hydroxy-3-[1-(2-phenylmethoxyphenyl)propyl]benzoic acid?
The InChIKey is OKGZEHQVLIZDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O4/c1-2-17(19-12-8-13-20(22(19)24)23(25)26)18-11-6-7-14-21(18)27-15-16-9-4-3-5-10-16/h3-14,17,24H,2,15H2,1H3,(H,25,26).
What are the key properties of 2-hydroxy-3-[1-(2-phenylmethoxyphenyl)propyl]benzoic acid?
2-hydroxy-3-[1-(2-phenylmethoxyphenyl)propyl]benzoic acid has a molecular weight of 362.43 g/mol, XLogP of 5.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[1-(2-phenylmethoxyphenyl)propyl]benzoic acid is sourced from PubChem (CID 67659398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).