2-(2-fluoro-5-phenyl-3-phenylmethoxyphenyl)acetic acid

C21H17FO3 — CID 174526081

IUPAC2-(2-fluoro-5-phenyl-3-phenylmethoxyphenyl)acetic acid
SMILESO=C(O)Cc1cc(-c2ccccc2)cc(OCc2ccccc2)c1F
InChIInChI=1S/C21H17FO3/c22-21-18(13-20(23)24)11-17(16-9-5-2-6-10-16)12-19(21)25-14-15-7-3-1-4-8-15/h1-12H,13-14H2,(H,23,24)
InChIKeyBKIBZXNAUYNZGQ-UHFFFAOYSA-N
MW336.36 g/mol
LogP4.70
Rot. Bonds6

About 2-(2-fluoro-5-phenyl-3-phenylmethoxyphenyl)acetic acid

2-(2-fluoro-5-phenyl-3-phenylmethoxyphenyl)acetic acid (PubChem CID 174526081) has the molecular formula C21H17FO3 and a molecular weight of 336.36 g/mol. Its IUPAC name is 2-(2-fluoro-5-phenyl-3-phenylmethoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(2-fluoro-5-phenyl-3-phenylmethoxyphenyl)acetic acid
PubChem CID174526081
Molecular FormulaC21H17FO3
Molecular Weight336.36 g/mol
Exact Mass336.12
IUPAC Name2-(2-fluoro-5-phenyl-3-phenylmethoxyphenyl)acetic acid
SMILESO=C(O)Cc1cc(-c2ccccc2)cc(OCc2ccccc2)c1F
InChIInChI=1S/C21H17FO3/c22-21-18(13-20(23)24)11-17(16-9-5-2-6-10-16)12-19(21)25-14-15-7-3-1-4-8-15/h1-12H,13-14H2,(H,23,24)
InChIKeyBKIBZXNAUYNZGQ-UHFFFAOYSA-N
XLogP4.70
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluoro-2-methyl-4-phenylmethoxyphenyl)acetic acid
CID 166161146
2-[4-[(2-bromo-4-phenylphenoxy)methyl]phenyl]acetic acid
CID 22682634
2-[3-(4-methoxy-3-phenylmethoxyphenyl)phenyl]acetic acid
CID 22930517
2-(2,5-dichloro-4-phenylmethoxyphenyl)acetic acid
CID 5002950
2-[2,5-bis(phenylmethoxy)phenyl]acetic acid
CID 14802088
3-ethoxy-4-fluoro-5-phenylmethoxybenzoic acid
CID 164895178
2-phenylmethoxy-5-(3,4,5-trifluorophenyl)benzoic acid
CID 172650688
1,2-dimethyl-5-phenyl-3-phenylmethoxybenzene
CID 175309090
2-[4-[(2,4-difluorophenoxy)methyl]phenyl]acetic acid
CID 105344812
5-(4-fluorophenyl)-2-phenylmethoxybenzoic acid
CID 154202317
2-(3,5-diphenylphenyl)acetic acid
CID 20542723
2-(2-fluoro-5-phenylphenyl)acetic acid
CID 46314800

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-5-phenyl-3-phenylmethoxyphenyl)acetic acid?
The IUPAC name of 2-(2-fluoro-5-phenyl-3-phenylmethoxyphenyl)acetic acid (CID 174526081) is 2-(2-fluoro-5-phenyl-3-phenylmethoxyphenyl)acetic acid.
What is the SMILES notation for 2-(2-fluoro-5-phenyl-3-phenylmethoxyphenyl)acetic acid?
The canonical SMILES for 2-(2-fluoro-5-phenyl-3-phenylmethoxyphenyl)acetic acid is O=C(O)Cc1cc(-c2ccccc2)cc(OCc2ccccc2)c1F.
What is the InChIKey of 2-(2-fluoro-5-phenyl-3-phenylmethoxyphenyl)acetic acid?
The InChIKey is BKIBZXNAUYNZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FO3/c22-21-18(13-20(23)24)11-17(16-9-5-2-6-10-16)12-19(21)25-14-15-7-3-1-4-8-15/h1-12H,13-14H2,(H,23,24).
What are the key properties of 2-(2-fluoro-5-phenyl-3-phenylmethoxyphenyl)acetic acid?
2-(2-fluoro-5-phenyl-3-phenylmethoxyphenyl)acetic acid has a molecular weight of 336.36 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-5-phenyl-3-phenylmethoxyphenyl)acetic acid is sourced from PubChem (CID 174526081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).