4-(2,5-difluorophenyl)-3-methoxybenzoic acid

C14H10F2O3 — CID 53225988

IUPAC4-(2,5-difluorophenyl)-3-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)ccc1-c1cc(F)ccc1F
InChIInChI=1S/C14H10F2O3/c1-19-13-6-8(14(17)18)2-4-10(13)11-7-9(15)3-5-12(11)16/h2-7H,1H3,(H,17,18)
InChIKeyDSWGUDVSODUQBS-UHFFFAOYSA-N
MW264.23 g/mol
LogP3.34
Rot. Bonds3

About 4-(2,5-difluorophenyl)-3-methoxybenzoic acid

4-(2,5-difluorophenyl)-3-methoxybenzoic acid (PubChem CID 53225988) has the molecular formula C14H10F2O3 and a molecular weight of 264.23 g/mol. Its IUPAC name is 4-(2,5-difluorophenyl)-3-methoxybenzoic acid.

Molecular Properties

Compound Name4-(2,5-difluorophenyl)-3-methoxybenzoic acid
PubChem CID53225988
Molecular FormulaC14H10F2O3
Molecular Weight264.23 g/mol
Exact Mass264.06
IUPAC Name4-(2,5-difluorophenyl)-3-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)ccc1-c1cc(F)ccc1F
InChIInChI=1S/C14H10F2O3/c1-19-13-6-8(14(17)18)2-4-10(13)11-7-9(15)3-5-12(11)16/h2-7H,1H3,(H,17,18)
InChIKeyDSWGUDVSODUQBS-UHFFFAOYSA-N
XLogP3.34
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5-fluoro-2-hydroxyphenyl)-3-methoxybenzoic acid
CID 53225716
4-(5-fluoro-2-methylphenyl)-3-methoxybenzoic acid
CID 53225605
3-(2,5-difluorophenyl)-4-hydroxy-5-methoxybenzoic acid
CID 82039120
3-(2,4-difluorophenyl)-4-fluorobenzoic acid
CID 52984009
4-(2,4-dimethoxyphenyl)-3-fluorobenzoic acid
CID 53211675
3-(2,5-dimethoxyphenyl)-4-fluorobenzoic acid
CID 53227234
4-fluoro-3-(3-hydroxy-4-methoxyphenyl)benzoic acid
CID 53220977
4-(4-chloro-2-methoxyphenyl)-3-methylbenzoic acid
CID 53227532
4-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-3-methoxybenzoic acid
CID 167863131
4-(5-fluoro-2-methoxyphenyl)-3-nitrobenzoic acid
CID 82772402
4-(2,5-difluorophenyl)-3-nitrobenzoic acid
CID 115512450
4-(4-fluorophenoxy)-3-methoxybenzoic acid
CID 170440931

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-difluorophenyl)-3-methoxybenzoic acid?
The IUPAC name of 4-(2,5-difluorophenyl)-3-methoxybenzoic acid (CID 53225988) is 4-(2,5-difluorophenyl)-3-methoxybenzoic acid.
What is the SMILES notation for 4-(2,5-difluorophenyl)-3-methoxybenzoic acid?
The canonical SMILES for 4-(2,5-difluorophenyl)-3-methoxybenzoic acid is COc1cc(C(=O)O)ccc1-c1cc(F)ccc1F.
What is the InChIKey of 4-(2,5-difluorophenyl)-3-methoxybenzoic acid?
The InChIKey is DSWGUDVSODUQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2O3/c1-19-13-6-8(14(17)18)2-4-10(13)11-7-9(15)3-5-12(11)16/h2-7H,1H3,(H,17,18).
What are the key properties of 4-(2,5-difluorophenyl)-3-methoxybenzoic acid?
4-(2,5-difluorophenyl)-3-methoxybenzoic acid has a molecular weight of 264.23 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-difluorophenyl)-3-methoxybenzoic acid is sourced from PubChem (CID 53225988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).