4-(3-fluoro-2-methoxyphenyl)-3-(methoxymethyl)benzoic acid

C16H15FO4 — CID 142711038

IUPAC4-(3-fluoro-2-methoxyphenyl)-3-(methoxymethyl)benzoic acid
SMILESCOCc1cc(C(=O)O)ccc1-c1cccc(F)c1OC
InChIInChI=1S/C16H15FO4/c1-20-9-11-8-10(16(18)19)6-7-12(11)13-4-3-5-14(17)15(13)21-2/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyYQNHVUUWXYNGDA-UHFFFAOYSA-N
MW290.29 g/mol
LogP3.35
Rot. Bonds5

About 4-(3-fluoro-2-methoxyphenyl)-3-(methoxymethyl)benzoic acid

4-(3-fluoro-2-methoxyphenyl)-3-(methoxymethyl)benzoic acid (PubChem CID 142711038) has the molecular formula C16H15FO4 and a molecular weight of 290.29 g/mol. Its IUPAC name is 4-(3-fluoro-2-methoxyphenyl)-3-(methoxymethyl)benzoic acid.

Molecular Properties

Compound Name4-(3-fluoro-2-methoxyphenyl)-3-(methoxymethyl)benzoic acid
PubChem CID142711038
Molecular FormulaC16H15FO4
Molecular Weight290.29 g/mol
Exact Mass290.10
IUPAC Name4-(3-fluoro-2-methoxyphenyl)-3-(methoxymethyl)benzoic acid
SMILESCOCc1cc(C(=O)O)ccc1-c1cccc(F)c1OC
InChIInChI=1S/C16H15FO4/c1-20-9-11-8-10(16(18)19)6-7-12(11)13-4-3-5-14(17)15(13)21-2/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyYQNHVUUWXYNGDA-UHFFFAOYSA-N
XLogP3.35
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(2-chloro-3-fluorophenyl)-3-(methoxymethyl)benzoate
CID 66678433
4-bromo-3-(methoxymethyl)benzoic acid
CID 19771229
3-(2-fluoro-4-methoxycarbonylphenyl)-2-methoxybenzoic acid
CID 53227906
4-[(2,3-difluorophenyl)methoxy]-3-methoxybenzoic acid
CID 43233816
8-(3-fluoro-2-hydroxyphenyl)naphthalene-2-carboxylic acid
CID 58553637
3-(3-fluoro-2-methoxyphenyl)-1H-1,2,4-triazole-5-carboxylic acid
CID 82376296
2-[2-methoxy-3-(methoxymethyl)phenyl]acetic acid
CID 83884874
4-(2-fluoro-3-methoxyphenyl)-3-methylbenzoic acid
CID 53226448
4-(2-chlorophenyl)-3-(methoxymethyl)benzoic acid;4-(2-fluorophenyl)-3-(methoxymethyl)benzoic acid;3-(methoxymethyl)-4-(2-methylpyrrolidin-1-yl)benzoic acid;3-(methoxymethyl)-4-[2-(trifluoromethyl)phenyl]benzoic acid;4-[(2S)-2-methylpiperidin-1-yl]-3-(trifluoromethyl)benzoic acid;4-[(2R)-2-methylpiperidin-1-yl]-3-(trifluoromethyl)benzoic acid
CID 173011452
4-(4-cyclopentyloxyphenyl)-3-(methoxymethyl)benzoic acid
CID 57134892
3-(bromomethyl)-5-fluoro-4-methoxybenzoic acid
CID 171024750
2-(3-chloro-2,4-dimethoxyphenyl)-6-fluorobenzoic acid
CID 114560415

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-2-methoxyphenyl)-3-(methoxymethyl)benzoic acid?
The IUPAC name of 4-(3-fluoro-2-methoxyphenyl)-3-(methoxymethyl)benzoic acid (CID 142711038) is 4-(3-fluoro-2-methoxyphenyl)-3-(methoxymethyl)benzoic acid.
What is the SMILES notation for 4-(3-fluoro-2-methoxyphenyl)-3-(methoxymethyl)benzoic acid?
The canonical SMILES for 4-(3-fluoro-2-methoxyphenyl)-3-(methoxymethyl)benzoic acid is COCc1cc(C(=O)O)ccc1-c1cccc(F)c1OC.
What is the InChIKey of 4-(3-fluoro-2-methoxyphenyl)-3-(methoxymethyl)benzoic acid?
The InChIKey is YQNHVUUWXYNGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO4/c1-20-9-11-8-10(16(18)19)6-7-12(11)13-4-3-5-14(17)15(13)21-2/h3-8H,9H2,1-2H3,(H,18,19).
What are the key properties of 4-(3-fluoro-2-methoxyphenyl)-3-(methoxymethyl)benzoic acid?
4-(3-fluoro-2-methoxyphenyl)-3-(methoxymethyl)benzoic acid has a molecular weight of 290.29 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-2-methoxyphenyl)-3-(methoxymethyl)benzoic acid is sourced from PubChem (CID 142711038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).