[2-(4-methylphenyl)-2-oxoethyl] 4-hydroxybenzoate

C16H14O4 — CID 1472270

IUPAC[2-(4-methylphenyl)-2-oxoethyl] 4-hydroxybenzoate
SMILESCc1ccc(C(=O)COC(=O)c2ccc(O)cc2)cc1
InChIInChI=1S/C16H14O4/c1-11-2-4-12(5-3-11)15(18)10-20-16(19)13-6-8-14(17)9-7-13/h2-9,17H,10H2,1H3
InChIKeyGRUXJWYGYWTMNW-UHFFFAOYSA-N
MW270.28 g/mol
LogP2.74
Rot. Bonds4

About [2-(4-methylphenyl)-2-oxoethyl] 4-hydroxybenzoate

[2-(4-methylphenyl)-2-oxoethyl] 4-hydroxybenzoate (PubChem CID 1472270) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is [2-(4-methylphenyl)-2-oxoethyl] 4-hydroxybenzoate.

Molecular Properties

Compound Name[2-(4-methylphenyl)-2-oxoethyl] 4-hydroxybenzoate
PubChem CID1472270
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name[2-(4-methylphenyl)-2-oxoethyl] 4-hydroxybenzoate
SMILESCc1ccc(C(=O)COC(=O)c2ccc(O)cc2)cc1
InChIInChI=1S/C16H14O4/c1-11-2-4-12(5-3-11)15(18)10-20-16(19)13-6-8-14(17)9-7-13/h2-9,17H,10H2,1H3
InChIKeyGRUXJWYGYWTMNW-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methylphenyl)-2-oxoethyl] 4-hydroxybenzoate?
The IUPAC name of [2-(4-methylphenyl)-2-oxoethyl] 4-hydroxybenzoate (CID 1472270) is [2-(4-methylphenyl)-2-oxoethyl] 4-hydroxybenzoate.
What is the SMILES notation for [2-(4-methylphenyl)-2-oxoethyl] 4-hydroxybenzoate?
The canonical SMILES for [2-(4-methylphenyl)-2-oxoethyl] 4-hydroxybenzoate is Cc1ccc(C(=O)COC(=O)c2ccc(O)cc2)cc1.
What is the InChIKey of [2-(4-methylphenyl)-2-oxoethyl] 4-hydroxybenzoate?
The InChIKey is GRUXJWYGYWTMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c1-11-2-4-12(5-3-11)15(18)10-20-16(19)13-6-8-14(17)9-7-13/h2-9,17H,10H2,1H3.
What are the key properties of [2-(4-methylphenyl)-2-oxoethyl] 4-hydroxybenzoate?
[2-(4-methylphenyl)-2-oxoethyl] 4-hydroxybenzoate has a molecular weight of 270.28 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylphenyl)-2-oxoethyl] 4-hydroxybenzoate is sourced from PubChem (CID 1472270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).