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

C15H13FO3 — CID 165436057

IUPAC2-[3-fluoro-5-(3-methoxyphenyl)phenyl]acetic acid
SMILESCOc1cccc(-c2cc(F)cc(CC(=O)O)c2)c1
InChIInChI=1S/C15H13FO3/c1-19-14-4-2-3-11(9-14)12-5-10(7-15(17)18)6-13(16)8-12/h2-6,8-9H,7H2,1H3,(H,17,18)
InChIKeyOVDSKWIEYYFQFQ-UHFFFAOYSA-N
MW260.26 g/mol
LogP3.13
Rot. Bonds4

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

2-[3-fluoro-5-(3-methoxyphenyl)phenyl]acetic acid (PubChem CID 165436057) has the molecular formula C15H13FO3 and a molecular weight of 260.26 g/mol. Its IUPAC name is 2-[3-fluoro-5-(3-methoxyphenyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-fluoro-5-(3-methoxyphenyl)phenyl]acetic acid
PubChem CID165436057
Molecular FormulaC15H13FO3
Molecular Weight260.26 g/mol
Exact Mass260.08
IUPAC Name2-[3-fluoro-5-(3-methoxyphenyl)phenyl]acetic acid
SMILESCOc1cccc(-c2cc(F)cc(CC(=O)O)c2)c1
InChIInChI=1S/C15H13FO3/c1-19-14-4-2-3-11(9-14)12-5-10(7-15(17)18)6-13(16)8-12/h2-6,8-9H,7H2,1H3,(H,17,18)
InChIKeyOVDSKWIEYYFQFQ-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

(3S)-3-amino-3-[3-fluoro-5-(3-methoxyphenyl)phenyl]propanoic acid
CID 135367087
2-[3-fluoro-5-(2-methoxyphenyl)phenyl]acetic acid
CID 165436051
1-(3,5-difluorophenyl)-3-(3-methoxyphenyl)propan-2-one
CID 62620261
2-[2-(3-methoxyphenyl)phenyl]acetic acid
CID 2759556
2-[3-chloro-4-(3-methoxyphenyl)phenyl]acetic acid
CID 176516046
2-[3-[3-(2-chloro-4-fluorophenyl)phenoxy]-5-methoxyphenyl]acetic acid
CID 59803449
2-[3-(3-methoxyphenoxy)phenyl]acetic acid
CID 19421788
2-[3-methoxy-5-[3-[4-(trifluoromethoxy)phenyl]phenoxy]phenyl]acetic acid
CID 25062184
2-[4-(3-fluorophenyl)phenyl]acetic acid;methane
CID 67899912
3-[3-(3-methoxyphenyl)phenyl]-3-oxopropanoic acid
CID 170887222
2-(3,5-diphenylphenyl)acetic acid
CID 20542723
2-(3-fluorophenyl)acetic acid;2-(3-fluorophenyl)-1-(2-hydroxy-4-methoxyphenyl)ethanone
CID 161326312

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-5-(3-methoxyphenyl)phenyl]acetic acid?
The IUPAC name of 2-[3-fluoro-5-(3-methoxyphenyl)phenyl]acetic acid (CID 165436057) is 2-[3-fluoro-5-(3-methoxyphenyl)phenyl]acetic acid.
What is the SMILES notation for 2-[3-fluoro-5-(3-methoxyphenyl)phenyl]acetic acid?
The canonical SMILES for 2-[3-fluoro-5-(3-methoxyphenyl)phenyl]acetic acid is COc1cccc(-c2cc(F)cc(CC(=O)O)c2)c1.
What is the InChIKey of 2-[3-fluoro-5-(3-methoxyphenyl)phenyl]acetic acid?
The InChIKey is OVDSKWIEYYFQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO3/c1-19-14-4-2-3-11(9-14)12-5-10(7-15(17)18)6-13(16)8-12/h2-6,8-9H,7H2,1H3,(H,17,18).
What are the key properties of 2-[3-fluoro-5-(3-methoxyphenyl)phenyl]acetic acid?
2-[3-fluoro-5-(3-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-(3-methoxyphenyl)phenyl]acetic acid is sourced from PubChem (CID 165436057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).