2-[2-(4-methoxybenzoyl)phenyl]acetic acid

C16H14O4 — CID 15621221

IUPAC2-[2-(4-methoxybenzoyl)phenyl]acetic acid
SMILESCOc1ccc(C(=O)c2ccccc2CC(=O)O)cc1
InChIInChI=1S/C16H14O4/c1-20-13-8-6-11(7-9-13)16(19)14-5-3-2-4-12(14)10-15(17)18/h2-9H,10H2,1H3,(H,17,18)
InChIKeyMSBUGVLRALPNIK-UHFFFAOYSA-N
MW270.28 g/mol
LogP2.55
Rot. Bonds5

About 2-[2-(4-methoxybenzoyl)phenyl]acetic acid

2-[2-(4-methoxybenzoyl)phenyl]acetic acid (PubChem CID 15621221) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is 2-[2-(4-methoxybenzoyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-methoxybenzoyl)phenyl]acetic acid
PubChem CID15621221
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name2-[2-(4-methoxybenzoyl)phenyl]acetic acid
SMILESCOc1ccc(C(=O)c2ccccc2CC(=O)O)cc1
InChIInChI=1S/C16H14O4/c1-20-13-8-6-11(7-9-13)16(19)14-5-3-2-4-12(14)10-15(17)18/h2-9H,10H2,1H3,(H,17,18)
InChIKeyMSBUGVLRALPNIK-UHFFFAOYSA-N
XLogP2.55
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(4-methoxyphenyl)methyl]phenyl]-phenylmethanone
CID 14451235
2-[2-(4-fluorobenzoyl)phenyl]acetic acid
CID 132556862
2-[2-[(4-methoxyphenyl)methyl]phenyl]acetic acid
CID 12743493
2-(4-methoxybenzoyl)benzoyl chloride
CID 13352630
(2-iodophenyl)-(4-methoxyphenyl)methanone
CID 43160499
(4-methoxyphenyl)-[2-(thiomorpholin-4-ylmethyl)phenyl]methanone
CID 24725410
(4-methoxyphenyl)-(2-propan-2-ylphenyl)methanone
CID 23404431
[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-phenylmethanone
CID 134955229
2-benzoyl-N'-(4-methoxybenzoyl)benzohydrazide
CID 585519
2,2-dihydroxy-2-[2-(4-methoxybenzoyl)phenyl]acetic acid
CID 154168626
2-[2-[(4-methoxybenzoyl)amino]phenyl]acetic acid
CID 62535136
2-[2-[4-(2-methylbenzoyl)phenoxy]phenyl]acetic acid
CID 21320367

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxybenzoyl)phenyl]acetic acid?
The IUPAC name of 2-[2-(4-methoxybenzoyl)phenyl]acetic acid (CID 15621221) is 2-[2-(4-methoxybenzoyl)phenyl]acetic acid.
What is the SMILES notation for 2-[2-(4-methoxybenzoyl)phenyl]acetic acid?
The canonical SMILES for 2-[2-(4-methoxybenzoyl)phenyl]acetic acid is COc1ccc(C(=O)c2ccccc2CC(=O)O)cc1.
What is the InChIKey of 2-[2-(4-methoxybenzoyl)phenyl]acetic acid?
The InChIKey is MSBUGVLRALPNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c1-20-13-8-6-11(7-9-13)16(19)14-5-3-2-4-12(14)10-15(17)18/h2-9H,10H2,1H3,(H,17,18).
What are the key properties of 2-[2-(4-methoxybenzoyl)phenyl]acetic acid?
2-[2-(4-methoxybenzoyl)phenyl]acetic acid has a molecular weight of 270.28 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxybenzoyl)phenyl]acetic acid is sourced from PubChem (CID 15621221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).