2-(2-fluoro-5-methoxyphenyl)-5-(hydroxymethyl)benzoic acid

C15H13FO4 — CID 57467590

IUPAC2-(2-fluoro-5-methoxyphenyl)-5-(hydroxymethyl)benzoic acid
SMILESCOc1ccc(F)c(-c2ccc(CO)cc2C(=O)O)c1
InChIInChI=1S/C15H13FO4/c1-20-10-3-5-14(16)12(7-10)11-4-2-9(8-17)6-13(11)15(18)19/h2-7,17H,8H2,1H3,(H,18,19)
InChIKeyRKHFQDMQFWLWGP-UHFFFAOYSA-N
MW276.26 g/mol
LogP2.69
Rot. Bonds4

About 2-(2-fluoro-5-methoxyphenyl)-5-(hydroxymethyl)benzoic acid

2-(2-fluoro-5-methoxyphenyl)-5-(hydroxymethyl)benzoic acid (PubChem CID 57467590) has the molecular formula C15H13FO4 and a molecular weight of 276.26 g/mol. Its IUPAC name is 2-(2-fluoro-5-methoxyphenyl)-5-(hydroxymethyl)benzoic acid.

Molecular Properties

Compound Name2-(2-fluoro-5-methoxyphenyl)-5-(hydroxymethyl)benzoic acid
PubChem CID57467590
Molecular FormulaC15H13FO4
Molecular Weight276.26 g/mol
Exact Mass276.08
IUPAC Name2-(2-fluoro-5-methoxyphenyl)-5-(hydroxymethyl)benzoic acid
SMILESCOc1ccc(F)c(-c2ccc(CO)cc2C(=O)O)c1
InChIInChI=1S/C15H13FO4/c1-20-10-3-5-14(16)12(7-10)11-4-2-9(8-17)6-13(11)15(18)19/h2-7,17H,8H2,1H3,(H,18,19)
InChIKeyRKHFQDMQFWLWGP-UHFFFAOYSA-N
XLogP2.69
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;1-[5-ethyl-2-(2-fluoro-5-methoxyphenyl)phenyl]-2,2-dimethylpropan-1-one
CID 143789443
2-[3-(2-fluoro-5-methoxyphenyl)-4-methoxyphenyl]acetic acid
CID 176513629
tert-butyl-[[3-(3,3-dimethylbut-1-en-2-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]-dimethylsilane;[3-(3,3-dimethylbut-1-en-2-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol
CID 158180652
[3-(2,2-dimethylpent-4-ynyl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol
CID 175927723
2-(4-fluorophenyl)-5-methoxybenzoic acid
CID 15461737
2-(2-chloro-4,5-difluorophenyl)-5-methoxybenzoic acid
CID 107476776
2-(2,3-difluoro-4-methylphenyl)-5-methoxybenzoic acid
CID 107514003
5-methoxy-2-(4-methoxyphenyl)benzoic acid
CID 2060525
2-(2-chloro-5-methoxyphenyl)-5-fluorobenzoic acid
CID 53227485
2-(4-fluoro-2-methylphenyl)-5-methoxybenzoic acid
CID 54912716
CID 161107965
CID 161107965
5-methoxy-2-[4-(2-methylpropyl)phenyl]benzoic acid
CID 63423926

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-5-methoxyphenyl)-5-(hydroxymethyl)benzoic acid?
The IUPAC name of 2-(2-fluoro-5-methoxyphenyl)-5-(hydroxymethyl)benzoic acid (CID 57467590) is 2-(2-fluoro-5-methoxyphenyl)-5-(hydroxymethyl)benzoic acid.
What is the SMILES notation for 2-(2-fluoro-5-methoxyphenyl)-5-(hydroxymethyl)benzoic acid?
The canonical SMILES for 2-(2-fluoro-5-methoxyphenyl)-5-(hydroxymethyl)benzoic acid is COc1ccc(F)c(-c2ccc(CO)cc2C(=O)O)c1.
What is the InChIKey of 2-(2-fluoro-5-methoxyphenyl)-5-(hydroxymethyl)benzoic acid?
The InChIKey is RKHFQDMQFWLWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO4/c1-20-10-3-5-14(16)12(7-10)11-4-2-9(8-17)6-13(11)15(18)19/h2-7,17H,8H2,1H3,(H,18,19).
What are the key properties of 2-(2-fluoro-5-methoxyphenyl)-5-(hydroxymethyl)benzoic acid?
2-(2-fluoro-5-methoxyphenyl)-5-(hydroxymethyl)benzoic acid has a molecular weight of 276.26 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-5-methoxyphenyl)-5-(hydroxymethyl)benzoic acid is sourced from PubChem (CID 57467590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).