3-(hydroxymethyl)-4-phenylmethoxybenzoic acid

C15H14O4 — CID 90442233

IUPAC3-(hydroxymethyl)-4-phenylmethoxybenzoic acid
SMILESO=C(O)c1ccc(OCc2ccccc2)c(CO)c1
InChIInChI=1S/C15H14O4/c16-9-13-8-12(15(17)18)6-7-14(13)19-10-11-4-2-1-3-5-11/h1-8,16H,9-10H2,(H,17,18)
InChIKeyBANVDSKNLPFNTK-UHFFFAOYSA-N
MW258.27 g/mol
LogP2.46
Rot. Bonds5

About 3-(hydroxymethyl)-4-phenylmethoxybenzoic acid

3-(hydroxymethyl)-4-phenylmethoxybenzoic acid (PubChem CID 90442233) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is 3-(hydroxymethyl)-4-phenylmethoxybenzoic acid.

Molecular Properties

Compound Name3-(hydroxymethyl)-4-phenylmethoxybenzoic acid
PubChem CID90442233
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Name3-(hydroxymethyl)-4-phenylmethoxybenzoic acid
SMILESO=C(O)c1ccc(OCc2ccccc2)c(CO)c1
InChIInChI=1S/C15H14O4/c16-9-13-8-12(15(17)18)6-7-14(13)19-10-11-4-2-1-3-5-11/h1-8,16H,9-10H2,(H,17,18)
InChIKeyBANVDSKNLPFNTK-UHFFFAOYSA-N
XLogP2.46
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-phenylmethoxybenzoic acid
CID 53471145
3-chloro-4-phenylmethoxybenzoic acid;hydrochloride
CID 67898851
2-hydroxy-1-(4-phenylmethoxy-3-propylphenyl)ethanone
CID 19910752
3-(2-phenylethenyl)-4-phenylmethoxybenzoic acid
CID 57066930
2-[3-(5-acetyl-2-phenylmethoxyphenyl)propyl]benzoic acid
CID 67659652
4-anilino-3-phenylmethoxybenzoic acid
CID 123431173
3-[(2-ethylphenoxy)methyl]benzoic acid
CID 20987653
3-(1,3-dioxol-2-yl)-4-phenylmethoxybenzoic acid
CID 178077157
(4,5-difluoro-2-phenylmethoxyphenyl)methanol
CID 130119023
4-[[2-(hydroxymethyl)phenoxy]methyl]benzamide
CID 103616898
4-[(2-prop-2-enylphenoxy)methyl]benzoic acid
CID 2252771
(4,5-dimethoxy-2-phenylmethoxyphenyl)methanol
CID 53441132

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-4-phenylmethoxybenzoic acid?
The IUPAC name of 3-(hydroxymethyl)-4-phenylmethoxybenzoic acid (CID 90442233) is 3-(hydroxymethyl)-4-phenylmethoxybenzoic acid.
What is the SMILES notation for 3-(hydroxymethyl)-4-phenylmethoxybenzoic acid?
The canonical SMILES for 3-(hydroxymethyl)-4-phenylmethoxybenzoic acid is O=C(O)c1ccc(OCc2ccccc2)c(CO)c1.
What is the InChIKey of 3-(hydroxymethyl)-4-phenylmethoxybenzoic acid?
The InChIKey is BANVDSKNLPFNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4/c16-9-13-8-12(15(17)18)6-7-14(13)19-10-11-4-2-1-3-5-11/h1-8,16H,9-10H2,(H,17,18).
What are the key properties of 3-(hydroxymethyl)-4-phenylmethoxybenzoic acid?
3-(hydroxymethyl)-4-phenylmethoxybenzoic acid has a molecular weight of 258.27 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-4-phenylmethoxybenzoic acid is sourced from PubChem (CID 90442233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).