methyl 4-[4-(4-propylcyclohexyl)phenyl]cyclohexene-1-carboxylate

C23H32O2 — CID 19986650

IUPACmethyl 4-[4-(4-propylcyclohexyl)phenyl]cyclohexene-1-carboxylate
SMILESCCCC1CCC(c2ccc(C3CC=C(C(=O)OC)CC3)cc2)CC1
InChIInChI=1S/C23H32O2/c1-3-4-17-5-7-18(8-6-17)19-9-11-20(12-10-19)21-13-15-22(16-14-21)23(24)25-2/h9-12,15,17-18,21H,3-8,13-14,16H2,1-2H3
InChIKeyCVOVWDUVSLECGF-UHFFFAOYSA-N
MW340.51 g/mol
LogP6.13
Rot. Bonds5

About methyl 4-[4-(4-propylcyclohexyl)phenyl]cyclohexene-1-carboxylate

methyl 4-[4-(4-propylcyclohexyl)phenyl]cyclohexene-1-carboxylate (PubChem CID 19986650) has the molecular formula C23H32O2 and a molecular weight of 340.51 g/mol. Its IUPAC name is methyl 4-[4-(4-propylcyclohexyl)phenyl]cyclohexene-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[4-(4-propylcyclohexyl)phenyl]cyclohexene-1-carboxylate
PubChem CID19986650
Molecular FormulaC23H32O2
Molecular Weight340.51 g/mol
Exact Mass340.24
IUPAC Namemethyl 4-[4-(4-propylcyclohexyl)phenyl]cyclohexene-1-carboxylate
SMILESCCCC1CCC(c2ccc(C3CC=C(C(=O)OC)CC3)cc2)CC1
InChIInChI=1S/C23H32O2/c1-3-4-17-5-7-18(8-6-17)19-9-11-20(12-10-19)21-13-15-22(16-14-21)23(24)25-2/h9-12,15,17-18,21H,3-8,13-14,16H2,1-2H3
InChIKeyCVOVWDUVSLECGF-UHFFFAOYSA-N
XLogP6.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.51
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

propan-2-yl 4-[4-(4-propylcyclohexyl)phenyl]cyclohexene-1-carboxylate
CID 19986835
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
1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene
CID 20538372
1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenoxy]benzene
CID 19700194
1-(2-methoxyethoxy)-4-(4-propylcyclohexyl)benzene
CID 21043309
4-(4-ethoxyphenyl)cyclohexene-1-carboxylic acid
CID 82295233
1-[4-(4-propylcyclohexyl)phenyl]hexane-1,3-dione
CID 20503141
[4-(4-propylcyclohexyl)phenyl] 4-methylbenzoate
CID 3093775
3-[4-[4-(4-propylcyclohexyl)phenyl]benzoyl]oxybutan-2-yl 4-[4-(4-propylcyclohexyl)phenyl]benzoate
CID 18606933
(4-propylcyclohexyl) 4-(4-butylcyclohexyl)benzoate
CID 3085888

Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-(4-propylcyclohexyl)phenyl]cyclohexene-1-carboxylate?
The IUPAC name of methyl 4-[4-(4-propylcyclohexyl)phenyl]cyclohexene-1-carboxylate (CID 19986650) is methyl 4-[4-(4-propylcyclohexyl)phenyl]cyclohexene-1-carboxylate.
What is the SMILES notation for methyl 4-[4-(4-propylcyclohexyl)phenyl]cyclohexene-1-carboxylate?
The canonical SMILES for methyl 4-[4-(4-propylcyclohexyl)phenyl]cyclohexene-1-carboxylate is CCCC1CCC(c2ccc(C3CC=C(C(=O)OC)CC3)cc2)CC1.
What is the InChIKey of methyl 4-[4-(4-propylcyclohexyl)phenyl]cyclohexene-1-carboxylate?
The InChIKey is CVOVWDUVSLECGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O2/c1-3-4-17-5-7-18(8-6-17)19-9-11-20(12-10-19)21-13-15-22(16-14-21)23(24)25-2/h9-12,15,17-18,21H,3-8,13-14,16H2,1-2H3.
What are the key properties of methyl 4-[4-(4-propylcyclohexyl)phenyl]cyclohexene-1-carboxylate?
methyl 4-[4-(4-propylcyclohexyl)phenyl]cyclohexene-1-carboxylate has a molecular weight of 340.51 g/mol, XLogP of 6.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-(4-propylcyclohexyl)phenyl]cyclohexene-1-carboxylate is sourced from PubChem (CID 19986650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).