2-[4-fluoro-2-(2-methoxyphenyl)phenyl]acetic acid

C15H13FO3 — CID 162623487

IUPAC2-[4-fluoro-2-(2-methoxyphenyl)phenyl]acetic acid
SMILESCOc1ccccc1-c1cc(F)ccc1CC(=O)O
InChIInChI=1S/C15H13FO3/c1-19-14-5-3-2-4-12(14)13-9-11(16)7-6-10(13)8-15(17)18/h2-7,9H,8H2,1H3,(H,17,18)
InChIKeyBTHPBCWJLYDBGA-UHFFFAOYSA-N
MW260.26 g/mol
LogP3.13
Rot. Bonds4

About 2-[4-fluoro-2-(2-methoxyphenyl)phenyl]acetic acid

2-[4-fluoro-2-(2-methoxyphenyl)phenyl]acetic acid (PubChem CID 162623487) has the molecular formula C15H13FO3 and a molecular weight of 260.26 g/mol. Its IUPAC name is 2-[4-fluoro-2-(2-methoxyphenyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-fluoro-2-(2-methoxyphenyl)phenyl]acetic acid
PubChem CID162623487
Molecular FormulaC15H13FO3
Molecular Weight260.26 g/mol
Exact Mass260.08
IUPAC Name2-[4-fluoro-2-(2-methoxyphenyl)phenyl]acetic acid
SMILESCOc1ccccc1-c1cc(F)ccc1CC(=O)O
InChIInChI=1S/C15H13FO3/c1-19-14-5-3-2-4-12(14)13-9-11(16)7-6-10(13)8-15(17)18/h2-7,9H,8H2,1H3,(H,17,18)
InChIKeyBTHPBCWJLYDBGA-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-[3-fluoro-5-(2-methoxyphenyl)phenyl]acetic acid
CID 165436051
2-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-4-yl]acetic acid
CID 82297374
4-fluoro-1-methoxy-2-(2-phenylphenyl)benzene
CID 69117197
2-fluoro-3-(5-fluoro-2-methoxyphenyl)benzoic acid
CID 107957266
2-[2-(2-methoxyphenyl)phenyl]benzoic acid
CID 67896375
2-(2,5-dimethoxy-4-phenylphenyl)acetic acid
CID 4270797
1-(2,4-difluorophenyl)-3-(2-methoxyphenyl)propan-2-one
CID 62196384
4-[4-(5-fluoro-2-methoxyphenyl)phenyl]butanoic acid
CID 67208829
2-methoxy-6-(2-methoxyphenyl)benzoic acid
CID 22380946
3-[4-fluoro-3-(2-methoxyphenyl)phenyl]butanoic acid
CID 82543204
4-fluoro-1-methoxy-2-[2-(trifluoromethoxy)phenyl]benzene
CID 134630084
2-[4-fluoro-2-(2-fluorophenyl)phenyl]acetamide
CID 46212372

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-2-(2-methoxyphenyl)phenyl]acetic acid?
The IUPAC name of 2-[4-fluoro-2-(2-methoxyphenyl)phenyl]acetic acid (CID 162623487) is 2-[4-fluoro-2-(2-methoxyphenyl)phenyl]acetic acid.
What is the SMILES notation for 2-[4-fluoro-2-(2-methoxyphenyl)phenyl]acetic acid?
The canonical SMILES for 2-[4-fluoro-2-(2-methoxyphenyl)phenyl]acetic acid is COc1ccccc1-c1cc(F)ccc1CC(=O)O.
What is the InChIKey of 2-[4-fluoro-2-(2-methoxyphenyl)phenyl]acetic acid?
The InChIKey is BTHPBCWJLYDBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO3/c1-19-14-5-3-2-4-12(14)13-9-11(16)7-6-10(13)8-15(17)18/h2-7,9H,8H2,1H3,(H,17,18).
What are the key properties of 2-[4-fluoro-2-(2-methoxyphenyl)phenyl]acetic acid?
2-[4-fluoro-2-(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-[4-fluoro-2-(2-methoxyphenyl)phenyl]acetic acid is sourced from PubChem (CID 162623487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).