2-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]acetic acid

C15H12ClFO3 — CID 176513648

IUPAC2-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]acetic acid
SMILESCOc1ccc(CC(=O)O)cc1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H12ClFO3/c1-20-14-5-2-9(7-15(18)19)6-11(14)10-3-4-13(17)12(16)8-10/h2-6,8H,7H2,1H3,(H,18,19)
InChIKeyKFCBDHPZRRGWRV-UHFFFAOYSA-N
MW294.71 g/mol
LogP3.78
Rot. Bonds4

About 2-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]acetic acid

2-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]acetic acid (PubChem CID 176513648) has the molecular formula C15H12ClFO3 and a molecular weight of 294.71 g/mol. Its IUPAC name is 2-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]acetic acid.

Molecular Properties

Compound Name2-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]acetic acid
PubChem CID176513648
Molecular FormulaC15H12ClFO3
Molecular Weight294.71 g/mol
Exact Mass294.05
IUPAC Name2-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]acetic acid
SMILESCOc1ccc(CC(=O)O)cc1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H12ClFO3/c1-20-14-5-2-9(7-15(18)19)6-11(14)10-3-4-13(17)12(16)8-10/h2-6,8H,7H2,1H3,(H,18,19)
InChIKeyKFCBDHPZRRGWRV-UHFFFAOYSA-N
XLogP3.78
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.71
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetic acid
CID 176513640
3,5-dichloro-4-[[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]methyl]phenol
CID 169189068
2-[3-(2-fluoro-5-methoxyphenyl)-4-methoxyphenyl]acetic acid
CID 176513629
2-[3-(3-aminophenyl)-4-methoxyphenyl]acetic acid
CID 176513636
2-[4-methoxy-3-(4-methylsulfonylphenyl)phenyl]acetic acid
CID 176513646
5-(5-chloro-2-methoxyphenyl)-2-fluorobenzoic acid
CID 53211125
2-(3-chloro-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 103805212
4-(chloromethyl)-2-(3,4-difluorophenyl)-1-methoxybenzene
CID 82123483
[3-(3-chloro-4-methoxyphenyl)-4-fluorophenyl]methanamine
CID 54910650
1-(3-chloro-4-fluorophenyl)-3,4-dimethoxy-2-methylbenzene
CID 174501482
4-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]pyridine;hydrochloride
CID 139864479
2-[3-[3-(3-chloro-4-fluorophenyl)phenyl]sulfonyl-5-methoxyphenyl]acetic acid
CID 59803474

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]acetic acid?
The IUPAC name of 2-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]acetic acid (CID 176513648) is 2-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]acetic acid.
What is the SMILES notation for 2-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]acetic acid?
The canonical SMILES for 2-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]acetic acid is COc1ccc(CC(=O)O)cc1-c1ccc(F)c(Cl)c1.
What is the InChIKey of 2-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]acetic acid?
The InChIKey is KFCBDHPZRRGWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFO3/c1-20-14-5-2-9(7-15(18)19)6-11(14)10-3-4-13(17)12(16)8-10/h2-6,8H,7H2,1H3,(H,18,19).
What are the key properties of 2-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]acetic acid?
2-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]acetic acid has a molecular weight of 294.71 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]acetic acid is sourced from PubChem (CID 176513648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).