4-(3-fluoro-4-methoxyphenyl)-2-methoxybenzoic acid

C15H13FO4 — CID 53226547

IUPAC4-(3-fluoro-4-methoxyphenyl)-2-methoxybenzoic acid
SMILESCOc1ccc(-c2ccc(C(=O)O)c(OC)c2)cc1F
InChIInChI=1S/C15H13FO4/c1-19-13-6-4-9(7-12(13)16)10-3-5-11(15(17)18)14(8-10)20-2/h3-8H,1-2H3,(H,17,18)
InChIKeySMCPEXDLLFBVTD-UHFFFAOYSA-N
MW276.26 g/mol
LogP3.21
Rot. Bonds4

About 4-(3-fluoro-4-methoxyphenyl)-2-methoxybenzoic acid

4-(3-fluoro-4-methoxyphenyl)-2-methoxybenzoic acid (PubChem CID 53226547) has the molecular formula C15H13FO4 and a molecular weight of 276.26 g/mol. Its IUPAC name is 4-(3-fluoro-4-methoxyphenyl)-2-methoxybenzoic acid.

Molecular Properties

Compound Name4-(3-fluoro-4-methoxyphenyl)-2-methoxybenzoic acid
PubChem CID53226547
Molecular FormulaC15H13FO4
Molecular Weight276.26 g/mol
Exact Mass276.08
IUPAC Name4-(3-fluoro-4-methoxyphenyl)-2-methoxybenzoic acid
SMILESCOc1ccc(-c2ccc(C(=O)O)c(OC)c2)cc1F
InChIInChI=1S/C15H13FO4/c1-19-13-6-4-9(7-12(13)16)10-3-5-11(15(17)18)14(8-10)20-2/h3-8H,1-2H3,(H,17,18)
InChIKeySMCPEXDLLFBVTD-UHFFFAOYSA-N
XLogP3.21
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,5-difluorophenyl)-2-methoxybenzoic acid
CID 53225906
2-chloro-4-(4-fluoro-3-methoxyphenyl)benzoic acid
CID 53226579
5-(3-fluoro-4-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82087076
4-(4-formylphenyl)-2-methoxybenzoic acid
CID 53225183
4-(3-fluoro-5-methoxycarbonylphenyl)-2-methoxybenzoic acid
CID 53228002
4-(3-aminophenyl)-2-methoxybenzoic acid
CID 53224921
1,2-difluoro-4-(3-fluoro-4-methoxyphenyl)benzene
CID 18930756
2-methoxy-4-[3-(trifluoromethyl)phenyl]benzoic acid
CID 53227617
4-(5-fluoro-2-hydroxyphenyl)-2-methoxybenzoic acid
CID 53225720
4-(3-carbamoyl-4-chlorophenyl)-2-methoxybenzoic acid
CID 53228064
4-(3-carboxy-5-hydroxyphenyl)-2-methoxybenzoic acid
CID 170646989
4-(4-chloro-3-methoxycarbonylphenyl)-2-methoxybenzoic acid
CID 53228513

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-methoxyphenyl)-2-methoxybenzoic acid?
The IUPAC name of 4-(3-fluoro-4-methoxyphenyl)-2-methoxybenzoic acid (CID 53226547) is 4-(3-fluoro-4-methoxyphenyl)-2-methoxybenzoic acid.
What is the SMILES notation for 4-(3-fluoro-4-methoxyphenyl)-2-methoxybenzoic acid?
The canonical SMILES for 4-(3-fluoro-4-methoxyphenyl)-2-methoxybenzoic acid is COc1ccc(-c2ccc(C(=O)O)c(OC)c2)cc1F.
What is the InChIKey of 4-(3-fluoro-4-methoxyphenyl)-2-methoxybenzoic acid?
The InChIKey is SMCPEXDLLFBVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO4/c1-19-13-6-4-9(7-12(13)16)10-3-5-11(15(17)18)14(8-10)20-2/h3-8H,1-2H3,(H,17,18).
What are the key properties of 4-(3-fluoro-4-methoxyphenyl)-2-methoxybenzoic acid?
4-(3-fluoro-4-methoxyphenyl)-2-methoxybenzoic acid has a molecular weight of 276.26 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-methoxyphenyl)-2-methoxybenzoic acid is sourced from PubChem (CID 53226547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).