ethyl 2-methyl-6-phenylbenzoate

C16H16O2 — CID 86249615

IUPACethyl 2-methyl-6-phenylbenzoate
SMILESCCOC(=O)c1c(C)cccc1-c1ccccc1
InChIInChI=1S/C16H16O2/c1-3-18-16(17)15-12(2)8-7-11-14(15)13-9-5-4-6-10-13/h4-11H,3H2,1-2H3
InChIKeyRUKAVHDPPYHJQG-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.84
Rot. Bonds3

About ethyl 2-methyl-6-phenylbenzoate

ethyl 2-methyl-6-phenylbenzoate (PubChem CID 86249615) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is ethyl 2-methyl-6-phenylbenzoate.

Molecular Properties

Compound Nameethyl 2-methyl-6-phenylbenzoate
PubChem CID86249615
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Nameethyl 2-methyl-6-phenylbenzoate
SMILESCCOC(=O)c1c(C)cccc1-c1ccccc1
InChIInChI=1S/C16H16O2/c1-3-18-16(17)15-12(2)8-7-11-14(15)13-9-5-4-6-10-13/h4-11H,3H2,1-2H3
InChIKeyRUKAVHDPPYHJQG-UHFFFAOYSA-N
XLogP3.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2,6-dimethylbenzoate
CID 520807
ethyl 2-chloro-8-phenylcyclohepta[b]pyrrole-3-carboxylate
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ethyl 2-aminoazulene-1-carboxylate
CID 11458568
benzyl 2-(2-ethoxycarbonylphenyl)-6-methylbenzoate
CID 170993079
ethyl 2-chloro-4-phenylcyclohepta[b]pyrrole-3-carboxylate
CID 10519135
ethyl 2-amino-3-chloro-6-phenylbenzoate
CID 107529091
ethyl 4-phenyl-2-sulfanylidene-1H-pyridine-3-carboxylate
CID 135563860
diethyl 2-chloro-4-phenylazulene-1,3-dicarboxylate
CID 10500140
ethyl 2-(2-hydroxyethoxy)-6-methylbenzoate
CID 10585223
ethyl 3-(2-methylphenyl)benzoate
CID 161279352
ethyl 4-methyl-2-phenyl-1H-indole-3-carboxylate
CID 138982192
ethyl 2-isoquinolin-7-yl-6-methylbenzoate
CID 23597517

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-6-phenylbenzoate?
The IUPAC name of ethyl 2-methyl-6-phenylbenzoate (CID 86249615) is ethyl 2-methyl-6-phenylbenzoate.
What is the SMILES notation for ethyl 2-methyl-6-phenylbenzoate?
The canonical SMILES for ethyl 2-methyl-6-phenylbenzoate is CCOC(=O)c1c(C)cccc1-c1ccccc1.
What is the InChIKey of ethyl 2-methyl-6-phenylbenzoate?
The InChIKey is RUKAVHDPPYHJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-3-18-16(17)15-12(2)8-7-11-14(15)13-9-5-4-6-10-13/h4-11H,3H2,1-2H3.
What are the key properties of ethyl 2-methyl-6-phenylbenzoate?
ethyl 2-methyl-6-phenylbenzoate has a molecular weight of 240.30 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-6-phenylbenzoate is sourced from PubChem (CID 86249615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).