1-pentoxy-4-(4-propylcyclohexen-1-yl)benzene

C20H30O — CID 57220140

IUPAC1-pentoxy-4-(4-propylcyclohexen-1-yl)benzene
SMILESCCCCCOc1ccc(C2=CCC(CCC)CC2)cc1
InChIInChI=1S/C20H30O/c1-3-5-6-16-21-20-14-12-19(13-15-20)18-10-8-17(7-4-2)9-11-18/h10,12-15,17H,3-9,11,16H2,1-2H3
InChIKeyMCJJFOQWQUIVJV-UHFFFAOYSA-N
MW286.46 g/mol
LogP6.24
Rot. Bonds8

About 1-pentoxy-4-(4-propylcyclohexen-1-yl)benzene

1-pentoxy-4-(4-propylcyclohexen-1-yl)benzene (PubChem CID 57220140) has the molecular formula C20H30O and a molecular weight of 286.46 g/mol. Its IUPAC name is 1-pentoxy-4-(4-propylcyclohexen-1-yl)benzene.

Molecular Properties

Compound Name1-pentoxy-4-(4-propylcyclohexen-1-yl)benzene
PubChem CID57220140
Molecular FormulaC20H30O
Molecular Weight286.46 g/mol
Exact Mass286.23
IUPAC Name1-pentoxy-4-(4-propylcyclohexen-1-yl)benzene
SMILESCCCCCOc1ccc(C2=CCC(CCC)CC2)cc1
InChIInChI=1S/C20H30O/c1-3-5-6-16-21-20-14-12-19(13-15-20)18-10-8-17(7-4-2)9-11-18/h10,12-15,17H,3-9,11,16H2,1-2H3
InChIKeyMCJJFOQWQUIVJV-UHFFFAOYSA-N
XLogP6.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.46
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-pentoxy-4-(4-propylcyclohexen-1-yl)benzene 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

1-(4-heptylcyclohexen-1-yl)-4-octoxybenzene
CID 57078730
1-(4-ethylcyclohexen-1-yl)-4-heptoxybenzene
CID 57220196
1-(4-hexylcyclohexen-1-yl)-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene
CID 20538280
1-(4-heptylcyclohexen-1-yl)-4-(4-hexylcyclohexen-1-yl)benzene
CID 20538103
1-(4-decylcyclohexen-1-yl)-4-(4-hexylcyclohexen-1-yl)benzene
CID 20538384
1-butoxy-4-(4-methylcyclohexen-1-yl)benzene
CID 4306080
1-butoxy-4-[4-[2-(4-pentylcyclohexen-1-yl)ethynyl]phenyl]benzene
CID 19984488
1-[2-(4-butylcyclohexen-1-yl)ethynyl]-4-(4-propoxyphenyl)benzene;1-propoxy-4-[4-[2-(4-propylcyclohexen-1-yl)ethynyl]phenyl]benzene
CID 158916284
1-(4-pentylcyclohexen-1-yl)-4-phenylbenzene
CID 5135294
1-[2-(4-hexylcyclohexen-1-yl)ethynyl]-4-pentoxybenzene
CID 19984000
1-butoxy-4-[2-(4-pentylcyclohexen-1-yl)ethynyl]benzene
CID 19984114
2-hexyl-6-(4-propylcyclohexen-1-yl)naphthalene
CID 20500630

Frequently Asked Questions

What is the IUPAC name of 1-pentoxy-4-(4-propylcyclohexen-1-yl)benzene?
The IUPAC name of 1-pentoxy-4-(4-propylcyclohexen-1-yl)benzene (CID 57220140) is 1-pentoxy-4-(4-propylcyclohexen-1-yl)benzene.
What is the SMILES notation for 1-pentoxy-4-(4-propylcyclohexen-1-yl)benzene?
The canonical SMILES for 1-pentoxy-4-(4-propylcyclohexen-1-yl)benzene is CCCCCOc1ccc(C2=CCC(CCC)CC2)cc1.
What is the InChIKey of 1-pentoxy-4-(4-propylcyclohexen-1-yl)benzene?
The InChIKey is MCJJFOQWQUIVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O/c1-3-5-6-16-21-20-14-12-19(13-15-20)18-10-8-17(7-4-2)9-11-18/h10,12-15,17H,3-9,11,16H2,1-2H3.
What are the key properties of 1-pentoxy-4-(4-propylcyclohexen-1-yl)benzene?
1-pentoxy-4-(4-propylcyclohexen-1-yl)benzene has a molecular weight of 286.46 g/mol, XLogP of 6.24, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentoxy-4-(4-propylcyclohexen-1-yl)benzene is sourced from PubChem (CID 57220140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).