2-[4-(4-chlorophenyl)phenyl]-2-methoxyacetic acid

C15H13ClO3 — CID 70572133

IUPAC2-[4-(4-chlorophenyl)phenyl]-2-methoxyacetic acid
SMILESCOC(C(=O)O)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H13ClO3/c1-19-14(15(17)18)12-4-2-10(3-5-12)11-6-8-13(16)9-7-11/h2-9,14H,1H3,(H,17,18)
InChIKeyARYBICIASHSLEZ-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.78
Rot. Bonds4

About 2-[4-(4-chlorophenyl)phenyl]-2-methoxyacetic acid

2-[4-(4-chlorophenyl)phenyl]-2-methoxyacetic acid (PubChem CID 70572133) has the molecular formula C15H13ClO3 and a molecular weight of 276.72 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)phenyl]-2-methoxyacetic acid.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)phenyl]-2-methoxyacetic acid
PubChem CID70572133
Molecular FormulaC15H13ClO3
Molecular Weight276.72 g/mol
Exact Mass276.06
IUPAC Name2-[4-(4-chlorophenyl)phenyl]-2-methoxyacetic acid
SMILESCOC(C(=O)O)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H13ClO3/c1-19-14(15(17)18)12-4-2-10(3-5-12)11-6-8-13(16)9-7-11/h2-9,14H,1H3,(H,17,18)
InChIKeyARYBICIASHSLEZ-UHFFFAOYSA-N
XLogP3.78
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-methoxy-2-(4-phenylphenyl)acetic acid
CID 124603467
(2R)-2-acetyloxy-2-(4-chlorophenyl)acetic acid
CID 86332935
2-[4-(difluoromethyl)phenyl]-2-methoxyacetic acid
CID 116769538
1-(4-chlorophenyl)-1,3-dimethoxypropan-2-one
CID 14813833
2-[4-(4-chlorophenyl)phenyl]-2-hydroxyacetic acid
CID 19793104
2-methoxy-2-(4-methoxycarbonylphenyl)acetic acid
CID 21261883
1-(4-chlorophenyl)-1-methoxypentan-2-one
CID 83225390
2-(3-chloro-4-methylphenyl)-2-methoxyacetic acid
CID 106819374
(2S)-2-methoxy-2-(4-phenoxyphenyl)acetic acid
CID 129384207
(2S)-2-methoxy-2-[4-(trifluoromethyl)phenyl]acetic acid
CID 97052451
2-(5-chloro-2-fluorophenyl)-2-methoxyacetic acid
CID 114868069
2-(4-ethoxyphenyl)-2-methoxyacetic acid
CID 83224411

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)phenyl]-2-methoxyacetic acid?
The IUPAC name of 2-[4-(4-chlorophenyl)phenyl]-2-methoxyacetic acid (CID 70572133) is 2-[4-(4-chlorophenyl)phenyl]-2-methoxyacetic acid.
What is the SMILES notation for 2-[4-(4-chlorophenyl)phenyl]-2-methoxyacetic acid?
The canonical SMILES for 2-[4-(4-chlorophenyl)phenyl]-2-methoxyacetic acid is COC(C(=O)O)c1ccc(-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[4-(4-chlorophenyl)phenyl]-2-methoxyacetic acid?
The InChIKey is ARYBICIASHSLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO3/c1-19-14(15(17)18)12-4-2-10(3-5-12)11-6-8-13(16)9-7-11/h2-9,14H,1H3,(H,17,18).
What are the key properties of 2-[4-(4-chlorophenyl)phenyl]-2-methoxyacetic acid?
2-[4-(4-chlorophenyl)phenyl]-2-methoxyacetic acid has a molecular weight of 276.72 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-[4-(4-chlorophenyl)phenyl]-2-methoxyacetic acid is sourced from PubChem (CID 70572133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).