[4-(cyclohexen-1-yl)-1-(4-methoxyphenyl)cyclohex-3-en-1-yl] methyl carbonate

C21H26O4 — CID 70404305

IUPAC[4-(cyclohexen-1-yl)-1-(4-methoxyphenyl)cyclohex-3-en-1-yl] methyl carbonate
SMILESCOC(=O)OC1(c2ccc(OC)cc2)CC=C(C2=CCCCC2)CC1
InChIInChI=1S/C21H26O4/c1-23-19-10-8-18(9-11-19)21(25-20(22)24-2)14-12-17(13-15-21)16-6-4-3-5-7-16/h6,8-12H,3-5,7,13-15H2,1-2H3
InChIKeyHJEPRODIQHIXQD-UHFFFAOYSA-N
MW342.44 g/mol
LogP5.28
Rot. Bonds4

About [4-(cyclohexen-1-yl)-1-(4-methoxyphenyl)cyclohex-3-en-1-yl] methyl carbonate

[4-(cyclohexen-1-yl)-1-(4-methoxyphenyl)cyclohex-3-en-1-yl] methyl carbonate (PubChem CID 70404305) has the molecular formula C21H26O4 and a molecular weight of 342.44 g/mol. Its IUPAC name is [4-(cyclohexen-1-yl)-1-(4-methoxyphenyl)cyclohex-3-en-1-yl] methyl carbonate.

Molecular Properties

Compound Name[4-(cyclohexen-1-yl)-1-(4-methoxyphenyl)cyclohex-3-en-1-yl] methyl carbonate
PubChem CID70404305
Molecular FormulaC21H26O4
Molecular Weight342.44 g/mol
Exact Mass342.18
IUPAC Name[4-(cyclohexen-1-yl)-1-(4-methoxyphenyl)cyclohex-3-en-1-yl] methyl carbonate
SMILESCOC(=O)OC1(c2ccc(OC)cc2)CC=C(C2=CCCCC2)CC1
InChIInChI=1S/C21H26O4/c1-23-19-10-8-18(9-11-19)21(25-20(22)24-2)14-12-17(13-15-21)16-6-4-3-5-7-16/h6,8-12H,3-5,7,13-15H2,1-2H3
InChIKeyHJEPRODIQHIXQD-UHFFFAOYSA-N
XLogP5.28
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.44
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(cyclohexen-1-yl)-1-(4-methoxyphenyl)cyclohex-3-en-1-yl] methyl carbonate 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

dimethyl 3-(4-methoxyphenyl)cyclopent-3-ene-1,1-dicarboxylate
CID 10902346
1-(4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 53016794
2-(cyclohexen-1-yl)-7-methoxyquinoline
CID 140669537
(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methoxyphenoxy)propanamide
CID 925253
1-(cyclohexen-1-yl)-3-(4-methoxyphenyl)propan-1-one
CID 62078293
N-ethyl-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 110487274
1-(4-methoxyphenyl)-N'-methylcyclopropane-1-carbohydrazide
CID 116847276
N-[1-(4-methoxyphenyl)cyclohexyl]-2-methylpropanamide
CID 110478522
N-cyclopentyl-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 110485718
cyclohexen-1-yl-(4-methoxy-2-methylphenyl)methanone
CID 103449955
4-(4-methoxyphenyl)-N-methylbicyclo[2.2.2]octane-1-carboxamide
CID 146623691
1-(4-acetamidophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide
CID 53110552

Frequently Asked Questions

What is the IUPAC name of [4-(cyclohexen-1-yl)-1-(4-methoxyphenyl)cyclohex-3-en-1-yl] methyl carbonate?
The IUPAC name of [4-(cyclohexen-1-yl)-1-(4-methoxyphenyl)cyclohex-3-en-1-yl] methyl carbonate (CID 70404305) is [4-(cyclohexen-1-yl)-1-(4-methoxyphenyl)cyclohex-3-en-1-yl] methyl carbonate.
What is the SMILES notation for [4-(cyclohexen-1-yl)-1-(4-methoxyphenyl)cyclohex-3-en-1-yl] methyl carbonate?
The canonical SMILES for [4-(cyclohexen-1-yl)-1-(4-methoxyphenyl)cyclohex-3-en-1-yl] methyl carbonate is COC(=O)OC1(c2ccc(OC)cc2)CC=C(C2=CCCCC2)CC1.
What is the InChIKey of [4-(cyclohexen-1-yl)-1-(4-methoxyphenyl)cyclohex-3-en-1-yl] methyl carbonate?
The InChIKey is HJEPRODIQHIXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O4/c1-23-19-10-8-18(9-11-19)21(25-20(22)24-2)14-12-17(13-15-21)16-6-4-3-5-7-16/h6,8-12H,3-5,7,13-15H2,1-2H3.
What are the key properties of [4-(cyclohexen-1-yl)-1-(4-methoxyphenyl)cyclohex-3-en-1-yl] methyl carbonate?
[4-(cyclohexen-1-yl)-1-(4-methoxyphenyl)cyclohex-3-en-1-yl] methyl carbonate has a molecular weight of 342.44 g/mol, XLogP of 5.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclohexen-1-yl)-1-(4-methoxyphenyl)cyclohex-3-en-1-yl] methyl carbonate is sourced from PubChem (CID 70404305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).