2-[3-fluoro-5-(2-methoxyphenyl)phenyl]acetic acid

C15H13FO3 — CID 165436051

IUPAC2-[3-fluoro-5-(2-methoxyphenyl)phenyl]acetic acid
SMILESCOc1ccccc1-c1cc(F)cc(CC(=O)O)c1
InChIInChI=1S/C15H13FO3/c1-19-14-5-3-2-4-13(14)11-6-10(8-15(17)18)7-12(16)9-11/h2-7,9H,8H2,1H3,(H,17,18)
InChIKeyHNYYXLJZQCEJFK-UHFFFAOYSA-N
MW260.26 g/mol
LogP3.13
Rot. Bonds4

About 2-[3-fluoro-5-(2-methoxyphenyl)phenyl]acetic acid

2-[3-fluoro-5-(2-methoxyphenyl)phenyl]acetic acid (PubChem CID 165436051) has the molecular formula C15H13FO3 and a molecular weight of 260.26 g/mol. Its IUPAC name is 2-[3-fluoro-5-(2-methoxyphenyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-fluoro-5-(2-methoxyphenyl)phenyl]acetic acid
PubChem CID165436051
Molecular FormulaC15H13FO3
Molecular Weight260.26 g/mol
Exact Mass260.08
IUPAC Name2-[3-fluoro-5-(2-methoxyphenyl)phenyl]acetic acid
SMILESCOc1ccccc1-c1cc(F)cc(CC(=O)O)c1
InChIInChI=1S/C15H13FO3/c1-19-14-5-3-2-4-13(14)11-6-10(8-15(17)18)7-12(16)9-11/h2-7,9H,8H2,1H3,(H,17,18)
InChIKeyHNYYXLJZQCEJFK-UHFFFAOYSA-N
XLogP3.13
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-fluoro-2-(2-methoxyphenyl)phenyl]acetic acid
CID 162623487
2-[3-fluoro-5-(3-methoxyphenyl)phenyl]acetic acid
CID 165436057
3-[3-fluoro-5-(2-methoxyphenyl)phenyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid
CID 129094455
2-(2,5-dimethoxy-4-phenylphenyl)acetic acid
CID 4270797
2-[3-(carboxymethyl)-4-methoxy-5-phenylphenyl]acetic acid
CID 175958924
1-fluoro-3-[3-(2-methoxyphenyl)phenyl]benzene
CID 175734991
2-(3-bromo-5-fluorophenyl)-1-(2-methoxyphenyl)ethanone
CID 79702150
2-[3,5-dibromo-4-[(3,5-difluorophenyl)methyl-[[4-(2-methoxyphenoxy)phenyl]methyl]amino]phenyl]acetic acid
CID 70693237
2-(4-fluoro-3-methoxy-5-methylphenyl)acetic acid
CID 117287612
3-hydroxy-5-(2-methoxyphenyl)benzoic acid
CID 53225397
2-(3,5-difluorophenyl)-1-(2,3-dimethoxyphenyl)ethanone
CID 105412160
2-[2-(2-methoxyphenyl)-1,3-benzoxazol-6-yl]acetic acid
CID 82036591

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-5-(2-methoxyphenyl)phenyl]acetic acid?
The IUPAC name of 2-[3-fluoro-5-(2-methoxyphenyl)phenyl]acetic acid (CID 165436051) is 2-[3-fluoro-5-(2-methoxyphenyl)phenyl]acetic acid.
What is the SMILES notation for 2-[3-fluoro-5-(2-methoxyphenyl)phenyl]acetic acid?
The canonical SMILES for 2-[3-fluoro-5-(2-methoxyphenyl)phenyl]acetic acid is COc1ccccc1-c1cc(F)cc(CC(=O)O)c1.
What is the InChIKey of 2-[3-fluoro-5-(2-methoxyphenyl)phenyl]acetic acid?
The InChIKey is HNYYXLJZQCEJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO3/c1-19-14-5-3-2-4-13(14)11-6-10(8-15(17)18)7-12(16)9-11/h2-7,9H,8H2,1H3,(H,17,18).
What are the key properties of 2-[3-fluoro-5-(2-methoxyphenyl)phenyl]acetic acid?
2-[3-fluoro-5-(2-methoxyphenyl)phenyl]acetic acid has a molecular weight of 260.26 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-5-(2-methoxyphenyl)phenyl]acetic acid is sourced from PubChem (CID 165436051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).