2-[4-[2-(2-methoxyphenyl)-2-oxoethyl]phenyl]acetic acid

C17H16O4 — CID 158147821

IUPAC2-[4-[2-(2-methoxyphenyl)-2-oxoethyl]phenyl]acetic acid
SMILESCOc1ccccc1C(=O)Cc1ccc(CC(=O)O)cc1
InChIInChI=1S/C17H16O4/c1-21-16-5-3-2-4-14(16)15(18)10-12-6-8-13(9-7-12)11-17(19)20/h2-9H,10-11H2,1H3,(H,19,20)
InChIKeyVDZSZQBZHJLTAP-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.75
Rot. Bonds6

About 2-[4-[2-(2-methoxyphenyl)-2-oxoethyl]phenyl]acetic acid

2-[4-[2-(2-methoxyphenyl)-2-oxoethyl]phenyl]acetic acid (PubChem CID 158147821) has the molecular formula C17H16O4 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-[4-[2-(2-methoxyphenyl)-2-oxoethyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(2-methoxyphenyl)-2-oxoethyl]phenyl]acetic acid
PubChem CID158147821
Molecular FormulaC17H16O4
Molecular Weight284.31 g/mol
Exact Mass284.10
IUPAC Name2-[4-[2-(2-methoxyphenyl)-2-oxoethyl]phenyl]acetic acid
SMILESCOc1ccccc1C(=O)Cc1ccc(CC(=O)O)cc1
InChIInChI=1S/C17H16O4/c1-21-16-5-3-2-4-14(16)15(18)10-12-6-8-13(9-7-12)11-17(19)20/h2-9H,10-11H2,1H3,(H,19,20)
InChIKeyVDZSZQBZHJLTAP-UHFFFAOYSA-N
XLogP2.75
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoro-3-methoxyphenyl)-2-(4-methylphenyl)ethanone
CID 82808065
2-[4-[2-[(2-methoxybenzoyl)amino]ethyl]phenyl]acetic acid
CID 23453032
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
1-(2,3-dimethoxyphenyl)-2-(4-methylphenyl)ethanone
CID 61079926
2-phenyl-1-(2,3,4-trimethoxyphenyl)ethanone
CID 14284964
2-phenyl-1-(2,4,5-trimethoxyphenyl)ethanone
CID 15228893
1-(2-chloro-4,5-dimethoxyphenyl)-2-phenylethanone
CID 43162219
2-fluoro-1-(2-methoxyphenyl)ethanone
CID 11816076
1-(2-fluoro-3-methoxyphenyl)-2-pyridin-4-ylethanone
CID 82808484
2-(3-bromo-5-fluorophenyl)-1-(2-methoxyphenyl)ethanone
CID 79702150
2-[2-(2-methoxyphenyl)acetyl]benzoic acid
CID 83743438
2-benzylsulfanyl-1-(2-methoxyphenyl)ethanone
CID 43218473

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-methoxyphenyl)-2-oxoethyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[2-(2-methoxyphenyl)-2-oxoethyl]phenyl]acetic acid (CID 158147821) is 2-[4-[2-(2-methoxyphenyl)-2-oxoethyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[2-(2-methoxyphenyl)-2-oxoethyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[2-(2-methoxyphenyl)-2-oxoethyl]phenyl]acetic acid is COc1ccccc1C(=O)Cc1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-[2-(2-methoxyphenyl)-2-oxoethyl]phenyl]acetic acid?
The InChIKey is VDZSZQBZHJLTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O4/c1-21-16-5-3-2-4-14(16)15(18)10-12-6-8-13(9-7-12)11-17(19)20/h2-9H,10-11H2,1H3,(H,19,20).
What are the key properties of 2-[4-[2-(2-methoxyphenyl)-2-oxoethyl]phenyl]acetic acid?
2-[4-[2-(2-methoxyphenyl)-2-oxoethyl]phenyl]acetic acid has a molecular weight of 284.31 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-methoxyphenyl)-2-oxoethyl]phenyl]acetic acid is sourced from PubChem (CID 158147821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).