[2-oxo-2-(4-phenylphenyl)ethyl] 3-methoxybenzoate

C22H18O4 — CID 795003

IUPAC[2-oxo-2-(4-phenylphenyl)ethyl] 3-methoxybenzoate
SMILESCOc1cccc(C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C22H18O4/c1-25-20-9-5-8-19(14-20)22(24)26-15-21(23)18-12-10-17(11-13-18)16-6-3-2-4-7-16/h2-14H,15H2,1H3
InChIKeyURDHEACKEQPMNK-UHFFFAOYSA-N
MW346.38 g/mol
LogP4.40
Rot. Bonds6

About [2-oxo-2-(4-phenylphenyl)ethyl] 3-methoxybenzoate

[2-oxo-2-(4-phenylphenyl)ethyl] 3-methoxybenzoate (PubChem CID 795003) has the molecular formula C22H18O4 and a molecular weight of 346.38 g/mol. Its IUPAC name is [2-oxo-2-(4-phenylphenyl)ethyl] 3-methoxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-(4-phenylphenyl)ethyl] 3-methoxybenzoate
PubChem CID795003
Molecular FormulaC22H18O4
Molecular Weight346.38 g/mol
Exact Mass346.12
IUPAC Name[2-oxo-2-(4-phenylphenyl)ethyl] 3-methoxybenzoate
SMILESCOc1cccc(C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C22H18O4/c1-25-20-9-5-8-19(14-20)22(24)26-15-21(23)18-12-10-17(11-13-18)16-6-3-2-4-7-16/h2-14H,15H2,1H3
InChIKeyURDHEACKEQPMNK-UHFFFAOYSA-N
XLogP4.40
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(4-phenylphenyl)ethyl] naphthalene-2-carboxylate
CID 7698509
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-methoxybenzoate
CID 16522195
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-phenylbenzoate
CID 2520644
[4-[2-(3-methoxybenzoyl)oxyacetyl]phenyl] furan-2-carboxylate
CID 1218467
[4-[2-(2,2-diphenylacetyl)oxyacetyl]phenyl] 3-methoxybenzoate
CID 3910563
[2-(3-methoxyphenyl)-2-oxoethyl] 4-oxo-4-phenylbutanoate
CID 4271424
[2-oxo-2-(4-phenylphenyl)ethyl] 2-(4-methoxyphenyl)-1,3-dioxoisoindole-5-carboxylate
CID 1216905
[2-(3-methoxyphenyl)-2-oxoethyl] 4-methylsulfonylbenzoate
CID 41237601
[2-(4-bromophenyl)-2-oxoethyl] 3-phenoxybenzoate
CID 7701050
[2-oxo-2-(4-phenylphenyl)ethyl] 4-butoxy-3-methoxybenzoate
CID 5183525
[2-(4-methoxyphenyl)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 7133621
[2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 3-methoxybenzoate
CID 7985964

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-phenylphenyl)ethyl] 3-methoxybenzoate?
The IUPAC name of [2-oxo-2-(4-phenylphenyl)ethyl] 3-methoxybenzoate (CID 795003) is [2-oxo-2-(4-phenylphenyl)ethyl] 3-methoxybenzoate.
What is the SMILES notation for [2-oxo-2-(4-phenylphenyl)ethyl] 3-methoxybenzoate?
The canonical SMILES for [2-oxo-2-(4-phenylphenyl)ethyl] 3-methoxybenzoate is COc1cccc(C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of [2-oxo-2-(4-phenylphenyl)ethyl] 3-methoxybenzoate?
The InChIKey is URDHEACKEQPMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O4/c1-25-20-9-5-8-19(14-20)22(24)26-15-21(23)18-12-10-17(11-13-18)16-6-3-2-4-7-16/h2-14H,15H2,1H3.
What are the key properties of [2-oxo-2-(4-phenylphenyl)ethyl] 3-methoxybenzoate?
[2-oxo-2-(4-phenylphenyl)ethyl] 3-methoxybenzoate has a molecular weight of 346.38 g/mol, XLogP of 4.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-phenylphenyl)ethyl] 3-methoxybenzoate is sourced from PubChem (CID 795003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).