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

C14H10F2O3 — CID 53225906

IUPAC4-(3,5-difluorophenyl)-2-methoxybenzoic acid
SMILESCOc1cc(-c2cc(F)cc(F)c2)ccc1C(=O)O
InChIInChI=1S/C14H10F2O3/c1-19-13-6-8(2-3-12(13)14(17)18)9-4-10(15)7-11(16)5-9/h2-7H,1H3,(H,17,18)
InChIKeyZBIOHYAARKOCLZ-UHFFFAOYSA-N
MW264.23 g/mol
LogP3.34
Rot. Bonds3

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

4-(3,5-difluorophenyl)-2-methoxybenzoic acid (PubChem CID 53225906) has the molecular formula C14H10F2O3 and a molecular weight of 264.23 g/mol. Its IUPAC name is 4-(3,5-difluorophenyl)-2-methoxybenzoic acid.

Molecular Properties

Compound Name4-(3,5-difluorophenyl)-2-methoxybenzoic acid
PubChem CID53225906
Molecular FormulaC14H10F2O3
Molecular Weight264.23 g/mol
Exact Mass264.06
IUPAC Name4-(3,5-difluorophenyl)-2-methoxybenzoic acid
SMILESCOc1cc(-c2cc(F)cc(F)c2)ccc1C(=O)O
InChIInChI=1S/C14H10F2O3/c1-19-13-6-8(2-3-12(13)14(17)18)9-4-10(15)7-11(16)5-9/h2-7H,1H3,(H,17,18)
InChIKeyZBIOHYAARKOCLZ-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-(3-fluoro-5-methoxycarbonylphenyl)-2-methoxybenzoic acid
CID 53228002
4-(3-fluoro-4-methoxyphenyl)-2-methoxybenzoic acid
CID 53226547
4-(5-fluoro-2-hydroxyphenyl)-2-methoxybenzoic acid
CID 53225720
4-(3,5-difluorophenyl)-2-fluorobenzoic acid
CID 53211091
4-(3-carboxy-5-hydroxyphenyl)-2-methoxybenzoic acid
CID 170646989
4-(4-formylphenyl)-2-methoxybenzoic acid
CID 53225183
4-(3-aminophenyl)-2-methoxybenzoic acid
CID 53224921
2-methoxy-4-[3-(trifluoromethyl)phenyl]benzoic acid
CID 53227617
4-(4-chloro-3-methoxycarbonylphenyl)-2-methoxybenzoic acid
CID 53228513
2-chloro-4-(4-fluoro-3-methoxyphenyl)benzoic acid
CID 53226579
4-(3-carbamoyl-4-chlorophenyl)-2-methoxybenzoic acid
CID 53228064
2,4-dimethoxybenzoic acid
CID 67450326

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-difluorophenyl)-2-methoxybenzoic acid?
The IUPAC name of 4-(3,5-difluorophenyl)-2-methoxybenzoic acid (CID 53225906) is 4-(3,5-difluorophenyl)-2-methoxybenzoic acid.
What is the SMILES notation for 4-(3,5-difluorophenyl)-2-methoxybenzoic acid?
The canonical SMILES for 4-(3,5-difluorophenyl)-2-methoxybenzoic acid is COc1cc(-c2cc(F)cc(F)c2)ccc1C(=O)O.
What is the InChIKey of 4-(3,5-difluorophenyl)-2-methoxybenzoic acid?
The InChIKey is ZBIOHYAARKOCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2O3/c1-19-13-6-8(2-3-12(13)14(17)18)9-4-10(15)7-11(16)5-9/h2-7H,1H3,(H,17,18).
What are the key properties of 4-(3,5-difluorophenyl)-2-methoxybenzoic acid?
4-(3,5-difluorophenyl)-2-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-(3,5-difluorophenyl)-2-methoxybenzoic acid is sourced from PubChem (CID 53225906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).