ethyl 5-(2-hydroxybenzoyl)-3-(4-methoxyphenyl)-2-methylbenzoate

C24H22O5 — CID 56648068

IUPACethyl 5-(2-hydroxybenzoyl)-3-(4-methoxyphenyl)-2-methylbenzoate
SMILESCCOC(=O)c1cc(C(=O)c2ccccc2O)cc(-c2ccc(OC)cc2)c1C
InChIInChI=1S/C24H22O5/c1-4-29-24(27)21-14-17(23(26)19-7-5-6-8-22(19)25)13-20(15(21)2)16-9-11-18(28-3)12-10-16/h5-14,25H,4H2,1-3H3
InChIKeyTYVYEWVXFXDQPQ-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.78
Rot. Bonds6

About ethyl 5-(2-hydroxybenzoyl)-3-(4-methoxyphenyl)-2-methylbenzoate

ethyl 5-(2-hydroxybenzoyl)-3-(4-methoxyphenyl)-2-methylbenzoate (PubChem CID 56648068) has the molecular formula C24H22O5 and a molecular weight of 390.44 g/mol. Its IUPAC name is ethyl 5-(2-hydroxybenzoyl)-3-(4-methoxyphenyl)-2-methylbenzoate.

Molecular Properties

Compound Nameethyl 5-(2-hydroxybenzoyl)-3-(4-methoxyphenyl)-2-methylbenzoate
PubChem CID56648068
Molecular FormulaC24H22O5
Molecular Weight390.44 g/mol
Exact Mass390.15
IUPAC Nameethyl 5-(2-hydroxybenzoyl)-3-(4-methoxyphenyl)-2-methylbenzoate
SMILESCCOC(=O)c1cc(C(=O)c2ccccc2O)cc(-c2ccc(OC)cc2)c1C
InChIInChI=1S/C24H22O5/c1-4-29-24(27)21-14-17(23(26)19-7-5-6-8-22(19)25)13-20(15(21)2)16-9-11-18(28-3)12-10-16/h5-14,25H,4H2,1-3H3
InChIKeyTYVYEWVXFXDQPQ-UHFFFAOYSA-N
XLogP4.78
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 5-(2-hydroxybenzoyl)-3-(4-methoxyphenyl)-2-methylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 5-(2-hydroxybenzoyl)-1-[(4-methoxyphenyl)methyl]-2-oxopyridine-3-carboxylate
CID 142416598
ethyl 3-cyano-5-(2-hydroxybenzoyl)-2-phenylbenzoate
CID 56647866
diethyl 6-methoxyazulene-1,3-dicarboxylate
CID 101063451
ethyl 5-(2-hydroxybenzoyl)-2-(3-methoxyanilino)pyridine-3-carboxylate
CID 142747669
ethyl 2-hydroxybenzoate;formaldehyde
CID 158790120
ethyl 5-benzoyloxy-2-hydroxybenzoate
CID 18544052
ethyl 2-(4-hydroxyphenyl)benzoate
CID 67639185
ethyl 2-(4-methoxycarbonylphenyl)benzoate
CID 170872162
ethyl 2-(4-methylphenyl)benzoate
CID 10922668
ethyl 3,4-bis(4-methoxyphenyl)-1-methylpyrrole-2-carboxylate
CID 10546793
(2-hydroxy-4-methoxyphenyl)-phenylmethanone;propan-1-amine;hydrochloride
CID 158222494
(2-hydroxy-5-methoxyphenyl)-(2-hydroxyphenyl)methanone
CID 12761367

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-hydroxybenzoyl)-3-(4-methoxyphenyl)-2-methylbenzoate?
The IUPAC name of ethyl 5-(2-hydroxybenzoyl)-3-(4-methoxyphenyl)-2-methylbenzoate (CID 56648068) is ethyl 5-(2-hydroxybenzoyl)-3-(4-methoxyphenyl)-2-methylbenzoate.
What is the SMILES notation for ethyl 5-(2-hydroxybenzoyl)-3-(4-methoxyphenyl)-2-methylbenzoate?
The canonical SMILES for ethyl 5-(2-hydroxybenzoyl)-3-(4-methoxyphenyl)-2-methylbenzoate is CCOC(=O)c1cc(C(=O)c2ccccc2O)cc(-c2ccc(OC)cc2)c1C.
What is the InChIKey of ethyl 5-(2-hydroxybenzoyl)-3-(4-methoxyphenyl)-2-methylbenzoate?
The InChIKey is TYVYEWVXFXDQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O5/c1-4-29-24(27)21-14-17(23(26)19-7-5-6-8-22(19)25)13-20(15(21)2)16-9-11-18(28-3)12-10-16/h5-14,25H,4H2,1-3H3.
What are the key properties of ethyl 5-(2-hydroxybenzoyl)-3-(4-methoxyphenyl)-2-methylbenzoate?
ethyl 5-(2-hydroxybenzoyl)-3-(4-methoxyphenyl)-2-methylbenzoate has a molecular weight of 390.44 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-hydroxybenzoyl)-3-(4-methoxyphenyl)-2-methylbenzoate is sourced from PubChem (CID 56648068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).