2-[hydroxy-(4-methoxy-3,5-dimethylphenyl)methyl]benzoic acid

C17H18O4 — CID 83046006

IUPAC2-[hydroxy-(4-methoxy-3,5-dimethylphenyl)methyl]benzoic acid
SMILESCOc1c(C)cc(C(O)c2ccccc2C(=O)O)cc1C
InChIInChI=1S/C17H18O4/c1-10-8-12(9-11(2)16(10)21-3)15(18)13-6-4-5-7-14(13)17(19)20/h4-9,15,18H,1-3H3,(H,19,20)
InChIKeyUFVSDUZDNDZQTQ-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.09
Rot. Bonds4

About 2-[hydroxy-(4-methoxy-3,5-dimethylphenyl)methyl]benzoic acid

2-[hydroxy-(4-methoxy-3,5-dimethylphenyl)methyl]benzoic acid (PubChem CID 83046006) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[hydroxy-(4-methoxy-3,5-dimethylphenyl)methyl]benzoic acid.

Molecular Properties

Compound Name2-[hydroxy-(4-methoxy-3,5-dimethylphenyl)methyl]benzoic acid
PubChem CID83046006
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name2-[hydroxy-(4-methoxy-3,5-dimethylphenyl)methyl]benzoic acid
SMILESCOc1c(C)cc(C(O)c2ccccc2C(=O)O)cc1C
InChIInChI=1S/C17H18O4/c1-10-8-12(9-11(2)16(10)21-3)15(18)13-6-4-5-7-14(13)17(19)20/h4-9,15,18H,1-3H3,(H,19,20)
InChIKeyUFVSDUZDNDZQTQ-UHFFFAOYSA-N
XLogP3.09
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chloro-3-methylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanol
CID 83068641
(2,3-dichlorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanol
CID 83067902
2-[hydroxy-(4-propan-2-ylphenyl)methyl]benzoic acid
CID 61023494
(3-chloro-2-fluorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanol
CID 83068636
2-[hydroxy(methoxy)methyl]benzoic acid
CID 90208008
carbonic acid;2-methoxy-3-methylbenzoic acid
CID 69114521
(3,5-dimethylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanol
CID 83068712
CID 175079027
CID 175079027
2-methyl-3-[1-(3,4,5-trimethoxyphenyl)ethyl]benzoic acid
CID 70358731
2-[hydroxy-(4-methoxyphenyl)methyl]benzamide
CID 101445139
2-[(2,5-dichlorothiophen-3-yl)-hydroxymethyl]benzoic acid
CID 43167368
2-[(S)-bromo(phenyl)methyl]benzoic acid
CID 99639138

Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy-(4-methoxy-3,5-dimethylphenyl)methyl]benzoic acid?
The IUPAC name of 2-[hydroxy-(4-methoxy-3,5-dimethylphenyl)methyl]benzoic acid (CID 83046006) is 2-[hydroxy-(4-methoxy-3,5-dimethylphenyl)methyl]benzoic acid.
What is the SMILES notation for 2-[hydroxy-(4-methoxy-3,5-dimethylphenyl)methyl]benzoic acid?
The canonical SMILES for 2-[hydroxy-(4-methoxy-3,5-dimethylphenyl)methyl]benzoic acid is COc1c(C)cc(C(O)c2ccccc2C(=O)O)cc1C.
What is the InChIKey of 2-[hydroxy-(4-methoxy-3,5-dimethylphenyl)methyl]benzoic acid?
The InChIKey is UFVSDUZDNDZQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-10-8-12(9-11(2)16(10)21-3)15(18)13-6-4-5-7-14(13)17(19)20/h4-9,15,18H,1-3H3,(H,19,20).
What are the key properties of 2-[hydroxy-(4-methoxy-3,5-dimethylphenyl)methyl]benzoic acid?
2-[hydroxy-(4-methoxy-3,5-dimethylphenyl)methyl]benzoic acid has a molecular weight of 286.33 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy-(4-methoxy-3,5-dimethylphenyl)methyl]benzoic acid is sourced from PubChem (CID 83046006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).