1-propoxy-4-[2-(4-propylcyclohexyl)ethyl]benzene

C20H32O — CID 15641416

IUPAC1-propoxy-4-[2-(4-propylcyclohexyl)ethyl]benzene
SMILESCCCOc1ccc(CCC2CCC(CCC)CC2)cc1
InChIInChI=1S/C20H32O/c1-3-5-17-6-8-18(9-7-17)10-11-19-12-14-20(15-13-19)21-16-4-2/h12-15,17-18H,3-11,16H2,1-2H3
InChIKeyYVBAZHFVEGNIOK-UHFFFAOYSA-N
MW288.48 g/mol
LogP6.01
Rot. Bonds8

About 1-propoxy-4-[2-(4-propylcyclohexyl)ethyl]benzene

1-propoxy-4-[2-(4-propylcyclohexyl)ethyl]benzene (PubChem CID 15641416) has the molecular formula C20H32O and a molecular weight of 288.48 g/mol. Its IUPAC name is 1-propoxy-4-[2-(4-propylcyclohexyl)ethyl]benzene.

Molecular Properties

Compound Name1-propoxy-4-[2-(4-propylcyclohexyl)ethyl]benzene
PubChem CID15641416
Molecular FormulaC20H32O
Molecular Weight288.48 g/mol
Exact Mass288.25
IUPAC Name1-propoxy-4-[2-(4-propylcyclohexyl)ethyl]benzene
SMILESCCCOc1ccc(CCC2CCC(CCC)CC2)cc1
InChIInChI=1S/C20H32O/c1-3-5-17-6-8-18(9-7-17)10-11-19-12-14-20(15-13-19)21-16-4-2/h12-15,17-18H,3-11,16H2,1-2H3
InChIKeyYVBAZHFVEGNIOK-UHFFFAOYSA-N
XLogP6.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.48
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-propoxy-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyridine
CID 18638428
1-[2-(4-methylcyclohexyl)ethyl]-4-[3-(4-methylcyclohexyl)propoxy]benzene
CID 19739243
1-[2-(4-ethylcyclohexyl)ethyl]-4-[3-(4-ethylcyclohexyl)propoxy]benzene
CID 19739072
1-[3-(4-ethylcyclohexyl)propoxy]-4-[2-(4-methylcyclohexyl)ethyl]benzene
CID 19739078
1-butoxy-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]benzene
CID 54140175
1-[2-[4-(2-chloroethenyl)cyclohexyl]ethyl]-4-(4-propoxyphenyl)benzene
CID 54432080
1-butoxy-4-[2-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]ethynyl]benzene
CID 67865149
1-butoxy-4-[3-(4-propylcyclohexyl)propoxy]benzene
CID 19739002
1-[3-(2-pentylcyclohexyl)propoxy]-4-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]benzene
CID 57027738
1-(2-cyclopropylethyl)-4-(3-propoxyphenyl)benzene
CID 166443409
1-octyl-4-[3-(4-pentylcyclohexyl)propoxy]benzene
CID 19739264
1-heptyl-4-[3-(4-hexylcyclohexyl)propoxy]benzene
CID 57294543

Frequently Asked Questions

What is the IUPAC name of 1-propoxy-4-[2-(4-propylcyclohexyl)ethyl]benzene?
The IUPAC name of 1-propoxy-4-[2-(4-propylcyclohexyl)ethyl]benzene (CID 15641416) is 1-propoxy-4-[2-(4-propylcyclohexyl)ethyl]benzene.
What is the SMILES notation for 1-propoxy-4-[2-(4-propylcyclohexyl)ethyl]benzene?
The canonical SMILES for 1-propoxy-4-[2-(4-propylcyclohexyl)ethyl]benzene is CCCOc1ccc(CCC2CCC(CCC)CC2)cc1.
What is the InChIKey of 1-propoxy-4-[2-(4-propylcyclohexyl)ethyl]benzene?
The InChIKey is YVBAZHFVEGNIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O/c1-3-5-17-6-8-18(9-7-17)10-11-19-12-14-20(15-13-19)21-16-4-2/h12-15,17-18H,3-11,16H2,1-2H3.
What are the key properties of 1-propoxy-4-[2-(4-propylcyclohexyl)ethyl]benzene?
1-propoxy-4-[2-(4-propylcyclohexyl)ethyl]benzene has a molecular weight of 288.48 g/mol, XLogP of 6.01, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propoxy-4-[2-(4-propylcyclohexyl)ethyl]benzene is sourced from PubChem (CID 15641416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).