benzyl 2-(2-ethoxycarbonylphenyl)-6-methylbenzoate

C24H22O4 — CID 170993079

IUPACbenzyl 2-(2-ethoxycarbonylphenyl)-6-methylbenzoate
SMILESCCOC(=O)c1ccccc1-c1cccc(C)c1C(=O)OCc1ccccc1
InChIInChI=1S/C24H22O4/c1-3-27-23(25)21-14-8-7-13-19(21)20-15-9-10-17(2)22(20)24(26)28-16-18-11-5-4-6-12-18/h4-15H,3,16H2,1-2H3
InChIKeyQFTKVEPBPBGPIF-UHFFFAOYSA-N
MW374.44 g/mol
LogP5.20
Rot. Bonds6

About benzyl 2-(2-ethoxycarbonylphenyl)-6-methylbenzoate

benzyl 2-(2-ethoxycarbonylphenyl)-6-methylbenzoate (PubChem CID 170993079) has the molecular formula C24H22O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is benzyl 2-(2-ethoxycarbonylphenyl)-6-methylbenzoate.

Molecular Properties

Compound Namebenzyl 2-(2-ethoxycarbonylphenyl)-6-methylbenzoate
PubChem CID170993079
Molecular FormulaC24H22O4
Molecular Weight374.44 g/mol
Exact Mass374.15
IUPAC Namebenzyl 2-(2-ethoxycarbonylphenyl)-6-methylbenzoate
SMILESCCOC(=O)c1ccccc1-c1cccc(C)c1C(=O)OCc1ccccc1
InChIInChI=1S/C24H22O4/c1-3-27-23(25)21-14-8-7-13-19(21)20-15-9-10-17(2)22(20)24(26)28-16-18-11-5-4-6-12-18/h4-15H,3,16H2,1-2H3
InChIKeyQFTKVEPBPBGPIF-UHFFFAOYSA-N
XLogP5.20
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.44
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-methyl-6-phenylbenzoate
CID 86249615
ethyl 2-methyl-6-phenylmethoxybenzoate
CID 67461909
dibenzyl 3-butylbenzene-1,2-dicarboxylate
CID 23615592
methyl 2-hydroxy-3-(2-phenylmethoxycarbonylphenyl)benzoate
CID 169094954
2-O-benzyl 1-O-ethyl 3,4,5,6-tetrabromobenzene-1,2-dicarboxylate
CID 142686765
ethyl 2,6-dimethylbenzoate
CID 520807
benzyl 2-(2-formylphenyl)-3-methylbenzoate
CID 170993305
benzyl 2-cyano-3-methylbenzoate
CID 172648951
diethyl 3-[(2-methoxycarbonylbenzoyl)oxymethyl]benzene-1,2-dicarboxylate
CID 155452030
(4-phenylphenyl)methyl 2,3-dimethylbenzoate
CID 7765271
ethyl 2-[4-(methylsulfonyloxymethyl)phenyl]benzoate
CID 21464175
sodium;ethyl 2-methylbenzoate;hydride
CID 174396999

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(2-ethoxycarbonylphenyl)-6-methylbenzoate?
The IUPAC name of benzyl 2-(2-ethoxycarbonylphenyl)-6-methylbenzoate (CID 170993079) is benzyl 2-(2-ethoxycarbonylphenyl)-6-methylbenzoate.
What is the SMILES notation for benzyl 2-(2-ethoxycarbonylphenyl)-6-methylbenzoate?
The canonical SMILES for benzyl 2-(2-ethoxycarbonylphenyl)-6-methylbenzoate is CCOC(=O)c1ccccc1-c1cccc(C)c1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-(2-ethoxycarbonylphenyl)-6-methylbenzoate?
The InChIKey is QFTKVEPBPBGPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O4/c1-3-27-23(25)21-14-8-7-13-19(21)20-15-9-10-17(2)22(20)24(26)28-16-18-11-5-4-6-12-18/h4-15H,3,16H2,1-2H3.
What are the key properties of benzyl 2-(2-ethoxycarbonylphenyl)-6-methylbenzoate?
benzyl 2-(2-ethoxycarbonylphenyl)-6-methylbenzoate has a molecular weight of 374.44 g/mol, XLogP of 5.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(2-ethoxycarbonylphenyl)-6-methylbenzoate is sourced from PubChem (CID 170993079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).