1-[2-(2-hydroxy-4-methoxybenzoyl)phenyl]ethanone

C16H14O4 — CID 96559735

IUPAC1-[2-(2-hydroxy-4-methoxybenzoyl)phenyl]ethanone
SMILESCOc1ccc(C(=O)c2ccccc2C(C)=O)c(O)c1
InChIInChI=1S/C16H14O4/c1-10(17)12-5-3-4-6-13(12)16(19)14-8-7-11(20-2)9-15(14)18/h3-9,18H,1-2H3
InChIKeyCMSXVDITPMPBJQ-UHFFFAOYSA-N
MW270.28 g/mol
LogP2.83
Rot. Bonds4

About 1-[2-(2-hydroxy-4-methoxybenzoyl)phenyl]ethanone

1-[2-(2-hydroxy-4-methoxybenzoyl)phenyl]ethanone (PubChem CID 96559735) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is 1-[2-(2-hydroxy-4-methoxybenzoyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-(2-hydroxy-4-methoxybenzoyl)phenyl]ethanone
PubChem CID96559735
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name1-[2-(2-hydroxy-4-methoxybenzoyl)phenyl]ethanone
SMILESCOc1ccc(C(=O)c2ccccc2C(C)=O)c(O)c1
InChIInChI=1S/C16H14O4/c1-10(17)12-5-3-4-6-13(12)16(19)14-8-7-11(20-2)9-15(14)18/h3-9,18H,1-2H3
InChIKeyCMSXVDITPMPBJQ-UHFFFAOYSA-N
XLogP2.83
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxy-4-methoxybenzoyl)phenyl]ethanone?
The IUPAC name of 1-[2-(2-hydroxy-4-methoxybenzoyl)phenyl]ethanone (CID 96559735) is 1-[2-(2-hydroxy-4-methoxybenzoyl)phenyl]ethanone.
What is the SMILES notation for 1-[2-(2-hydroxy-4-methoxybenzoyl)phenyl]ethanone?
The canonical SMILES for 1-[2-(2-hydroxy-4-methoxybenzoyl)phenyl]ethanone is COc1ccc(C(=O)c2ccccc2C(C)=O)c(O)c1.
What is the InChIKey of 1-[2-(2-hydroxy-4-methoxybenzoyl)phenyl]ethanone?
The InChIKey is CMSXVDITPMPBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c1-10(17)12-5-3-4-6-13(12)16(19)14-8-7-11(20-2)9-15(14)18/h3-9,18H,1-2H3.
What are the key properties of 1-[2-(2-hydroxy-4-methoxybenzoyl)phenyl]ethanone?
1-[2-(2-hydroxy-4-methoxybenzoyl)phenyl]ethanone has a molecular weight of 270.28 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxy-4-methoxybenzoyl)phenyl]ethanone is sourced from PubChem (CID 96559735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).