ethyl 2-phenyl-1-propylcyclohexane-1-carboxylate

C18H26O2 — CID 70449516

IUPACethyl 2-phenyl-1-propylcyclohexane-1-carboxylate
SMILESCCCC1(C(=O)OCC)CCCCC1c1ccccc1
InChIInChI=1S/C18H26O2/c1-3-13-18(17(19)20-4-2)14-9-8-12-16(18)15-10-6-5-7-11-15/h5-7,10-11,16H,3-4,8-9,12-14H2,1-2H3
InChIKeyKLXMUTQWSGSDQB-UHFFFAOYSA-N
MW274.40 g/mol
LogP4.69
Rot. Bonds5

About ethyl 2-phenyl-1-propylcyclohexane-1-carboxylate

ethyl 2-phenyl-1-propylcyclohexane-1-carboxylate (PubChem CID 70449516) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is ethyl 2-phenyl-1-propylcyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-phenyl-1-propylcyclohexane-1-carboxylate
PubChem CID70449516
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Nameethyl 2-phenyl-1-propylcyclohexane-1-carboxylate
SMILESCCCC1(C(=O)OCC)CCCCC1c1ccccc1
InChIInChI=1S/C18H26O2/c1-3-13-18(17(19)20-4-2)14-9-8-12-16(18)15-10-6-5-7-11-15/h5-7,10-11,16H,3-4,8-9,12-14H2,1-2H3
InChIKeyKLXMUTQWSGSDQB-UHFFFAOYSA-N
XLogP4.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethyl 2-phenyl-1-propylcyclohexane-1-carboxylate 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 ethyl 2-phenyl-1-propylcyclohexane-1-carboxylate?
The IUPAC name of ethyl 2-phenyl-1-propylcyclohexane-1-carboxylate (CID 70449516) is ethyl 2-phenyl-1-propylcyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 2-phenyl-1-propylcyclohexane-1-carboxylate?
The canonical SMILES for ethyl 2-phenyl-1-propylcyclohexane-1-carboxylate is CCCC1(C(=O)OCC)CCCCC1c1ccccc1.
What is the InChIKey of ethyl 2-phenyl-1-propylcyclohexane-1-carboxylate?
The InChIKey is KLXMUTQWSGSDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-3-13-18(17(19)20-4-2)14-9-8-12-16(18)15-10-6-5-7-11-15/h5-7,10-11,16H,3-4,8-9,12-14H2,1-2H3.
What are the key properties of ethyl 2-phenyl-1-propylcyclohexane-1-carboxylate?
ethyl 2-phenyl-1-propylcyclohexane-1-carboxylate has a molecular weight of 274.40 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-phenyl-1-propylcyclohexane-1-carboxylate is sourced from PubChem (CID 70449516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).