1-butyl-4-(4-propylcyclohexyl)benzene;1-ethoxy-4-(4-propylcyclohexyl)benzene;1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene

C58H90O — CID 159548432

IUPAC1-butyl-4-(4-propylcyclohexyl)benzene;1-ethoxy-4-(4-propylcyclohexyl)benzene;1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
SMILESCCCC1CCC(C2CCC(c3ccc(C)cc3)CC2)CC1.CCCC1CCC(c2ccc(OCC)cc2)CC1.CCCCc1ccc(C2CCC(CCC)CC2)cc1
InChIInChI=1S/C22H34.C19H30.C17H26O/c1-3-4-18-7-11-20(12-8-18)22-15-13-21(14-16-22)19-9-5-17(2)6-10-19;1-3-5-7-17-10-14-19(15-11-17)18-12-8-16(6-4-2)9-13-18;1-3-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18-4-2/h5-6,9-10,18,20-22H,3-4,7-8,11-16H2,1-2H3;10-11,14-16,18H,3-9,12-13H2,1-2H3;10-15H,3-9H2,1-2H3
InChIKeyMFBXQEAITJPHTM-UHFFFAOYSA-N
MW803.36 g/mol
LogP18.14
Rot. Bonds15

About 1-butyl-4-(4-propylcyclohexyl)benzene;1-ethoxy-4-(4-propylcyclohexyl)benzene;1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene

1-butyl-4-(4-propylcyclohexyl)benzene;1-ethoxy-4-(4-propylcyclohexyl)benzene;1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene (PubChem CID 159548432) has the molecular formula C58H90O and a molecular weight of 803.36 g/mol. Its IUPAC name is 1-butyl-4-(4-propylcyclohexyl)benzene;1-ethoxy-4-(4-propylcyclohexyl)benzene;1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene.

Molecular Properties

Compound Name1-butyl-4-(4-propylcyclohexyl)benzene;1-ethoxy-4-(4-propylcyclohexyl)benzene;1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
PubChem CID159548432
Molecular FormulaC58H90O
Molecular Weight803.36 g/mol
Exact Mass802.70
IUPAC Name1-butyl-4-(4-propylcyclohexyl)benzene;1-ethoxy-4-(4-propylcyclohexyl)benzene;1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
SMILESCCCC1CCC(C2CCC(c3ccc(C)cc3)CC2)CC1.CCCC1CCC(c2ccc(OCC)cc2)CC1.CCCCc1ccc(C2CCC(CCC)CC2)cc1
InChIInChI=1S/C22H34.C19H30.C17H26O/c1-3-4-18-7-11-20(12-8-18)22-15-13-21(14-16-22)19-9-5-17(2)6-10-19;1-3-5-7-17-10-14-19(15-11-17)18-12-8-16(6-4-2)9-13-18;1-3-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18-4-2/h5-6,9-10,18,20-22H,3-4,7-8,11-16H2,1-2H3;10-11,14-16,18H,3-9,12-13H2,1-2H3;10-15H,3-9H2,1-2H3
InChIKeyMFBXQEAITJPHTM-UHFFFAOYSA-N
XLogP18.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500803.36
LogP ≤ 518.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-butyl-4-(4-propylcyclohexyl)benzene;1-ethoxy-4-(4-propylcyclohexyl)benzene;1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]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-ethoxy-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene
CID 18605125
1-methyl-4-[[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]methyl]benzene
CID 58932728
1-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;bis(1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene)
CID 161029870
1-(4-butylcyclohexyl)-4-ethoxybenzene
CID 3019938
1-pentyl-4-[4-(4-propylcyclohexyl)phenoxy]benzene
CID 20677014
1-nonyl-4-(4-propylcyclohexyl)benzene
CID 20683431
1-ethoxy-4-[4-(4-undecylcyclohexyl)phenyl]benzene
CID 20539346
1-nonyl-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 20539381
1-ethoxy-4-[4-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]phenyl]benzene
CID 67864703
1-(5-fluoropentyl)-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene
CID 21265136
1-[4-(4-butylcyclohexyl)cyclohexyl]-4-methylbenzene;1-[4-(4-ethylcyclohexyl)cyclohexyl]-4-methylbenzene;methane;1-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 160680603
1-phenylmethoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 58660419

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(4-propylcyclohexyl)benzene;1-ethoxy-4-(4-propylcyclohexyl)benzene;1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
The IUPAC name of 1-butyl-4-(4-propylcyclohexyl)benzene;1-ethoxy-4-(4-propylcyclohexyl)benzene;1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene (CID 159548432) is 1-butyl-4-(4-propylcyclohexyl)benzene;1-ethoxy-4-(4-propylcyclohexyl)benzene;1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene.
What is the SMILES notation for 1-butyl-4-(4-propylcyclohexyl)benzene;1-ethoxy-4-(4-propylcyclohexyl)benzene;1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
The canonical SMILES for 1-butyl-4-(4-propylcyclohexyl)benzene;1-ethoxy-4-(4-propylcyclohexyl)benzene;1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene is CCCC1CCC(C2CCC(c3ccc(C)cc3)CC2)CC1.CCCC1CCC(c2ccc(OCC)cc2)CC1.CCCCc1ccc(C2CCC(CCC)CC2)cc1.
What is the InChIKey of 1-butyl-4-(4-propylcyclohexyl)benzene;1-ethoxy-4-(4-propylcyclohexyl)benzene;1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
The InChIKey is MFBXQEAITJPHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34.C19H30.C17H26O/c1-3-4-18-7-11-20(12-8-18)22-15-13-21(14-16-22)19-9-5-17(2)6-10-19;1-3-5-7-17-10-14-19(15-11-17)18-12-8-16(6-4-2)9-13-18;1-3-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18-4-2/h5-6,9-10,18,20-22H,3-4,7-8,11-16H2,1-2H3;10-11,14-16,18H,3-9,12-13H2,1-2H3;10-15H,3-9H2,1-2H3.
What are the key properties of 1-butyl-4-(4-propylcyclohexyl)benzene;1-ethoxy-4-(4-propylcyclohexyl)benzene;1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
1-butyl-4-(4-propylcyclohexyl)benzene;1-ethoxy-4-(4-propylcyclohexyl)benzene;1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene has a molecular weight of 803.36 g/mol, XLogP of 18.14, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(4-propylcyclohexyl)benzene;1-ethoxy-4-(4-propylcyclohexyl)benzene;1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene is sourced from PubChem (CID 159548432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).