2-[5-[2-(2-chlorophenyl)acetyl]-2-methoxyphenyl]acetic acid

C17H15ClO4 — CID 70494068

IUPAC2-[5-[2-(2-chlorophenyl)acetyl]-2-methoxyphenyl]acetic acid
SMILESCOc1ccc(C(=O)Cc2ccccc2Cl)cc1CC(=O)O
InChIInChI=1S/C17H15ClO4/c1-22-16-7-6-12(8-13(16)10-17(20)21)15(19)9-11-4-2-3-5-14(11)18/h2-8H,9-10H2,1H3,(H,20,21)
InChIKeyLPJJJOGTHVYRMX-UHFFFAOYSA-N
MW318.76 g/mol
LogP3.40
Rot. Bonds6

About 2-[5-[2-(2-chlorophenyl)acetyl]-2-methoxyphenyl]acetic acid

2-[5-[2-(2-chlorophenyl)acetyl]-2-methoxyphenyl]acetic acid (PubChem CID 70494068) has the molecular formula C17H15ClO4 and a molecular weight of 318.76 g/mol. Its IUPAC name is 2-[5-[2-(2-chlorophenyl)acetyl]-2-methoxyphenyl]acetic acid.

Molecular Properties

Compound Name2-[5-[2-(2-chlorophenyl)acetyl]-2-methoxyphenyl]acetic acid
PubChem CID70494068
Molecular FormulaC17H15ClO4
Molecular Weight318.76 g/mol
Exact Mass318.07
IUPAC Name2-[5-[2-(2-chlorophenyl)acetyl]-2-methoxyphenyl]acetic acid
SMILESCOc1ccc(C(=O)Cc2ccccc2Cl)cc1CC(=O)O
InChIInChI=1S/C17H15ClO4/c1-22-16-7-6-12(8-13(16)10-17(20)21)15(19)9-11-4-2-3-5-14(11)18/h2-8H,9-10H2,1H3,(H,20,21)
InChIKeyLPJJJOGTHVYRMX-UHFFFAOYSA-N
XLogP3.40
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-1-(4-methoxy-3-nitrophenyl)ethanone
CID 61056876
1-(3-chloro-4-methoxyphenyl)-2-phenylethanone
CID 18756159
2-(5-acetyl-2-methoxyphenyl)acetic acid
CID 2535148
1-(3-chloro-4-methylphenyl)-2-(2-chlorophenyl)ethanone
CID 63528027
1-[3-[(2-chlorophenyl)methylsulfanylmethyl]-4-methoxyphenyl]ethanone
CID 103600943
2-(2-chloro-4-fluorophenyl)-1-(3,4-dimethoxyphenyl)ethanone
CID 62621300
1-(3-chloro-4-methoxyphenyl)-2-[(2-chlorophenyl)methylsulfanyl]ethanone
CID 103289013
1-(2-chlorophenyl)-2-(3-ethyl-4-methoxyphenyl)ethane-1,2-dione
CID 163651211
1-(4-chloro-2-methoxyphenyl)-2-(2-chlorophenyl)ethanone
CID 55225078
1-(2-chlorophenyl)-2-(2-methoxyphenyl)ethanone
CID 61077883
2-(5-bromo-2-methoxyphenyl)-1-(2-chlorophenyl)ethanone
CID 62098415
sodium;2-(2-chlorophenyl)acetic acid;hydride
CID 174699179

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(2-chlorophenyl)acetyl]-2-methoxyphenyl]acetic acid?
The IUPAC name of 2-[5-[2-(2-chlorophenyl)acetyl]-2-methoxyphenyl]acetic acid (CID 70494068) is 2-[5-[2-(2-chlorophenyl)acetyl]-2-methoxyphenyl]acetic acid.
What is the SMILES notation for 2-[5-[2-(2-chlorophenyl)acetyl]-2-methoxyphenyl]acetic acid?
The canonical SMILES for 2-[5-[2-(2-chlorophenyl)acetyl]-2-methoxyphenyl]acetic acid is COc1ccc(C(=O)Cc2ccccc2Cl)cc1CC(=O)O.
What is the InChIKey of 2-[5-[2-(2-chlorophenyl)acetyl]-2-methoxyphenyl]acetic acid?
The InChIKey is LPJJJOGTHVYRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClO4/c1-22-16-7-6-12(8-13(16)10-17(20)21)15(19)9-11-4-2-3-5-14(11)18/h2-8H,9-10H2,1H3,(H,20,21).
What are the key properties of 2-[5-[2-(2-chlorophenyl)acetyl]-2-methoxyphenyl]acetic acid?
2-[5-[2-(2-chlorophenyl)acetyl]-2-methoxyphenyl]acetic acid has a molecular weight of 318.76 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(2-chlorophenyl)acetyl]-2-methoxyphenyl]acetic acid is sourced from PubChem (CID 70494068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).