propan-2-yl 4-[4-(4-propylcyclohexyl)phenyl]cyclohexene-1-carboxylate

C25H36O2 — CID 19986835

IUPACpropan-2-yl 4-[4-(4-propylcyclohexyl)phenyl]cyclohexene-1-carboxylate
SMILESCCCC1CCC(c2ccc(C3CC=C(C(=O)OC(C)C)CC3)cc2)CC1
InChIInChI=1S/C25H36O2/c1-4-5-19-6-8-20(9-7-19)21-10-12-22(13-11-21)23-14-16-24(17-15-23)25(26)27-18(2)3/h10-13,16,18-20,23H,4-9,14-15,17H2,1-3H3
InChIKeyDFFJYBDAZUMQPN-UHFFFAOYSA-N
MW368.56 g/mol
LogP6.91
Rot. Bonds6

About propan-2-yl 4-[4-(4-propylcyclohexyl)phenyl]cyclohexene-1-carboxylate

propan-2-yl 4-[4-(4-propylcyclohexyl)phenyl]cyclohexene-1-carboxylate (PubChem CID 19986835) has the molecular formula C25H36O2 and a molecular weight of 368.56 g/mol. Its IUPAC name is propan-2-yl 4-[4-(4-propylcyclohexyl)phenyl]cyclohexene-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[4-(4-propylcyclohexyl)phenyl]cyclohexene-1-carboxylate
PubChem CID19986835
Molecular FormulaC25H36O2
Molecular Weight368.56 g/mol
Exact Mass368.27
IUPAC Namepropan-2-yl 4-[4-(4-propylcyclohexyl)phenyl]cyclohexene-1-carboxylate
SMILESCCCC1CCC(c2ccc(C3CC=C(C(=O)OC(C)C)CC3)cc2)CC1
InChIInChI=1S/C25H36O2/c1-4-5-19-6-8-20(9-7-19)21-10-12-22(13-11-21)23-14-16-24(17-15-23)25(26)27-18(2)3/h10-13,16,18-20,23H,4-9,14-15,17H2,1-3H3
InChIKeyDFFJYBDAZUMQPN-UHFFFAOYSA-N
XLogP6.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.56
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze propan-2-yl 4-[4-(4-propylcyclohexyl)phenyl]cyclohexene-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

Related Compounds

methyl 4-[4-(4-propylcyclohexyl)phenyl]cyclohexene-1-carboxylate
CID 19986650
3-[4-[4-(4-propylcyclohexyl)phenyl]benzoyl]oxybutan-2-yl 4-[4-(4-propylcyclohexyl)phenyl]benzoate
CID 18606933
1-(4-propylcyclohexyl)-4-[4-[2-[2-[4-[4-(4-propylcyclohexyl)phenyl]cyclohexen-1-yl]ethoxy]ethyl]cyclohex-3-en-1-yl]benzene
CID 139803705
methyl 2-[4-(4-propylcyclohexyl)phenyl]propanoate
CID 70501855
carbamic acid;1-ethyl-4-(4-propylcyclohexyl)benzene
CID 70401958
4-(4-ethoxyphenyl)cyclohexene-1-carboxylic acid
CID 82295233
1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene
CID 20538372
3-[4-(4-propylcyclohexyl)phenyl]prop-2-enoic acid
CID 4201535
1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenoxy]benzene
CID 19700194
2-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]acetic acid
CID 19026680
(4-propylcyclohexyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]benzoate
CID 58698956
[4-(4-propylcyclohexyl)phenyl] 4-methylbenzoate
CID 3093775

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[4-(4-propylcyclohexyl)phenyl]cyclohexene-1-carboxylate?
The IUPAC name of propan-2-yl 4-[4-(4-propylcyclohexyl)phenyl]cyclohexene-1-carboxylate (CID 19986835) is propan-2-yl 4-[4-(4-propylcyclohexyl)phenyl]cyclohexene-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[4-(4-propylcyclohexyl)phenyl]cyclohexene-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[4-(4-propylcyclohexyl)phenyl]cyclohexene-1-carboxylate is CCCC1CCC(c2ccc(C3CC=C(C(=O)OC(C)C)CC3)cc2)CC1.
What is the InChIKey of propan-2-yl 4-[4-(4-propylcyclohexyl)phenyl]cyclohexene-1-carboxylate?
The InChIKey is DFFJYBDAZUMQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36O2/c1-4-5-19-6-8-20(9-7-19)21-10-12-22(13-11-21)23-14-16-24(17-15-23)25(26)27-18(2)3/h10-13,16,18-20,23H,4-9,14-15,17H2,1-3H3.
What are the key properties of propan-2-yl 4-[4-(4-propylcyclohexyl)phenyl]cyclohexene-1-carboxylate?
propan-2-yl 4-[4-(4-propylcyclohexyl)phenyl]cyclohexene-1-carboxylate has a molecular weight of 368.56 g/mol, XLogP of 6.91, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[4-(4-propylcyclohexyl)phenyl]cyclohexene-1-carboxylate is sourced from PubChem (CID 19986835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).