(2-ethylcyclohexyl) 4-methylbenzoate

C16H22O2 — CID 577069

IUPAC(2-ethylcyclohexyl) 4-methylbenzoate
SMILESCCC1CCCCC1OC(=O)c1ccc(C)cc1
InChIInChI=1S/C16H22O2/c1-3-13-6-4-5-7-15(13)18-16(17)14-10-8-12(2)9-11-14/h8-11,13,15H,3-7H2,1-2H3
InChIKeyFMYPNTIPBJDKLX-UHFFFAOYSA-N
MW246.35 g/mol
LogP4.12
Rot. Bonds3

About (2-ethylcyclohexyl) 4-methylbenzoate

(2-ethylcyclohexyl) 4-methylbenzoate (PubChem CID 577069) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is (2-ethylcyclohexyl) 4-methylbenzoate.

Molecular Properties

Compound Name(2-ethylcyclohexyl) 4-methylbenzoate
PubChem CID577069
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name(2-ethylcyclohexyl) 4-methylbenzoate
SMILESCCC1CCCCC1OC(=O)c1ccc(C)cc1
InChIInChI=1S/C16H22O2/c1-3-13-6-4-5-7-15(13)18-16(17)14-10-8-12(2)9-11-14/h8-11,13,15H,3-7H2,1-2H3
InChIKeyFMYPNTIPBJDKLX-UHFFFAOYSA-N
XLogP4.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2-ethylcyclohexyl) 4-methylbenzoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-ethylcyclohexyl) 4-methylbenzoate?
The IUPAC name of (2-ethylcyclohexyl) 4-methylbenzoate (CID 577069) is (2-ethylcyclohexyl) 4-methylbenzoate.
What is the SMILES notation for (2-ethylcyclohexyl) 4-methylbenzoate?
The canonical SMILES for (2-ethylcyclohexyl) 4-methylbenzoate is CCC1CCCCC1OC(=O)c1ccc(C)cc1.
What is the InChIKey of (2-ethylcyclohexyl) 4-methylbenzoate?
The InChIKey is FMYPNTIPBJDKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-3-13-6-4-5-7-15(13)18-16(17)14-10-8-12(2)9-11-14/h8-11,13,15H,3-7H2,1-2H3.
What are the key properties of (2-ethylcyclohexyl) 4-methylbenzoate?
(2-ethylcyclohexyl) 4-methylbenzoate has a molecular weight of 246.35 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylcyclohexyl) 4-methylbenzoate is sourced from PubChem (CID 577069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).