5-fluoro-2-methoxy-4-phenylbenzoic acid

C14H11FO3 — CID 170991634

IUPAC5-fluoro-2-methoxy-4-phenylbenzoic acid
SMILESCOc1cc(-c2ccccc2)c(F)cc1C(=O)O
InChIInChI=1S/C14H11FO3/c1-18-13-8-10(9-5-3-2-4-6-9)12(15)7-11(13)14(16)17/h2-8H,1H3,(H,16,17)
InChIKeyFLCNUENHPMXAMT-UHFFFAOYSA-N
MW246.24 g/mol
LogP3.20
Rot. Bonds3

About 5-fluoro-2-methoxy-4-phenylbenzoic acid

5-fluoro-2-methoxy-4-phenylbenzoic acid (PubChem CID 170991634) has the molecular formula C14H11FO3 and a molecular weight of 246.24 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-4-phenylbenzoic acid.

Molecular Properties

Compound Name5-fluoro-2-methoxy-4-phenylbenzoic acid
PubChem CID170991634
Molecular FormulaC14H11FO3
Molecular Weight246.24 g/mol
Exact Mass246.07
IUPAC Name5-fluoro-2-methoxy-4-phenylbenzoic acid
SMILESCOc1cc(-c2ccccc2)c(F)cc1C(=O)O
InChIInChI=1S/C14H11FO3/c1-18-13-8-10(9-5-3-2-4-6-9)12(15)7-11(13)14(16)17/h2-8H,1H3,(H,16,17)
InChIKeyFLCNUENHPMXAMT-UHFFFAOYSA-N
XLogP3.20
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-2-methoxy-4-phenylphenyl)ethanone
CID 176614232
5-fluoro-2-methoxy-4-phenylmethoxybenzoic acid
CID 16754043
4-methoxy-2-phenyl-5-propan-2-ylbenzoic acid
CID 150553095
4-fluoro-2-methoxy-5-[4-(2-methylpropoxycarbonyl)phenyl]benzoic acid
CID 163395539
4,5-dimethoxy-2-phenylbenzamide
CID 141317116
4-(3-fluoro-4-methoxyphenyl)-2-methoxybenzoic acid
CID 53226547
4-methoxy-1-phenylnaphthalene-2-carboxylic acid
CID 12870686
4-cyano-5-fluoro-2-methoxybenzoic acid
CID 131092344
4-fluoro-1-methoxynaphthalene-2-carboxylic acid
CID 66701185
5-fluoro-2-(2-methoxyphenoxy)benzoic acid
CID 43313324
5-fluoro-4-methoxy-2-methylbenzoic acid
CID 84769291
1,2,4-trimethoxy-5-phenylbenzene
CID 18788699

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-4-phenylbenzoic acid?
The IUPAC name of 5-fluoro-2-methoxy-4-phenylbenzoic acid (CID 170991634) is 5-fluoro-2-methoxy-4-phenylbenzoic acid.
What is the SMILES notation for 5-fluoro-2-methoxy-4-phenylbenzoic acid?
The canonical SMILES for 5-fluoro-2-methoxy-4-phenylbenzoic acid is COc1cc(-c2ccccc2)c(F)cc1C(=O)O.
What is the InChIKey of 5-fluoro-2-methoxy-4-phenylbenzoic acid?
The InChIKey is FLCNUENHPMXAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FO3/c1-18-13-8-10(9-5-3-2-4-6-9)12(15)7-11(13)14(16)17/h2-8H,1H3,(H,16,17).
What are the key properties of 5-fluoro-2-methoxy-4-phenylbenzoic acid?
5-fluoro-2-methoxy-4-phenylbenzoic acid has a molecular weight of 246.24 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-4-phenylbenzoic acid is sourced from PubChem (CID 170991634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).