1-[2-(4-methylcyclohexyl)ethyl]-4-[3-(4-methylcyclohexyl)propoxy]benzene

C25H40O — CID 19739243

IUPAC1-[2-(4-methylcyclohexyl)ethyl]-4-[3-(4-methylcyclohexyl)propoxy]benzene
SMILESCC1CCC(CCCOc2ccc(CCC3CCC(C)CC3)cc2)CC1
InChIInChI=1S/C25H40O/c1-20-5-9-22(10-6-20)4-3-19-26-25-17-15-24(16-18-25)14-13-23-11-7-21(2)8-12-23/h15-18,20-23H,3-14,19H2,1-2H3
InChIKeyWZDZNNDKVVXNSI-UHFFFAOYSA-N
MW356.59 g/mol
LogP7.43
Rot. Bonds8

About 1-[2-(4-methylcyclohexyl)ethyl]-4-[3-(4-methylcyclohexyl)propoxy]benzene

1-[2-(4-methylcyclohexyl)ethyl]-4-[3-(4-methylcyclohexyl)propoxy]benzene (PubChem CID 19739243) has the molecular formula C25H40O and a molecular weight of 356.59 g/mol. Its IUPAC name is 1-[2-(4-methylcyclohexyl)ethyl]-4-[3-(4-methylcyclohexyl)propoxy]benzene.

Molecular Properties

Compound Name1-[2-(4-methylcyclohexyl)ethyl]-4-[3-(4-methylcyclohexyl)propoxy]benzene
PubChem CID19739243
Molecular FormulaC25H40O
Molecular Weight356.59 g/mol
Exact Mass356.31
IUPAC Name1-[2-(4-methylcyclohexyl)ethyl]-4-[3-(4-methylcyclohexyl)propoxy]benzene
SMILESCC1CCC(CCCOc2ccc(CCC3CCC(C)CC3)cc2)CC1
InChIInChI=1S/C25H40O/c1-20-5-9-22(10-6-20)4-3-19-26-25-17-15-24(16-18-25)14-13-23-11-7-21(2)8-12-23/h15-18,20-23H,3-14,19H2,1-2H3
InChIKeyWZDZNNDKVVXNSI-UHFFFAOYSA-N
XLogP7.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.59
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(4-ethylcyclohexyl)propoxy]-4-[2-(4-methylcyclohexyl)ethyl]benzene
CID 19739078
1-[2-(4-ethylcyclohexyl)ethyl]-4-[3-(4-ethylcyclohexyl)propoxy]benzene
CID 19739072
1-[3-(4-methylcyclohexyl)propoxy]-4-[4-[3-(4-methylcyclohexyl)propoxy]phenyl]benzene
CID 19738810
1-propoxy-4-[2-(4-propylcyclohexyl)ethyl]benzene
CID 15641416
1-butoxy-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]benzene
CID 54140175
1-octyl-4-[3-(4-pentylcyclohexyl)propoxy]benzene
CID 19739264
1-heptyl-4-[3-(4-hexylcyclohexyl)propoxy]benzene
CID 57294543
1-butoxy-4-[2-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]ethynyl]benzene
CID 67865149
1-[(3S)-3-fluorooctoxy]-4-[2-(4-pentylcyclohexyl)ethyl]benzene
CID 142023816
1-butoxy-3-[2-(4-methylcyclohexyl)ethyl]benzene
CID 59545229
5-butoxy-2-[4-[2-(4-butylcyclohexyl)ethyl]phenyl]pyrimidine
CID 19839954
1-butoxy-4-[3-(4-propylcyclohexyl)propoxy]benzene
CID 19739002

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylcyclohexyl)ethyl]-4-[3-(4-methylcyclohexyl)propoxy]benzene?
The IUPAC name of 1-[2-(4-methylcyclohexyl)ethyl]-4-[3-(4-methylcyclohexyl)propoxy]benzene (CID 19739243) is 1-[2-(4-methylcyclohexyl)ethyl]-4-[3-(4-methylcyclohexyl)propoxy]benzene.
What is the SMILES notation for 1-[2-(4-methylcyclohexyl)ethyl]-4-[3-(4-methylcyclohexyl)propoxy]benzene?
The canonical SMILES for 1-[2-(4-methylcyclohexyl)ethyl]-4-[3-(4-methylcyclohexyl)propoxy]benzene is CC1CCC(CCCOc2ccc(CCC3CCC(C)CC3)cc2)CC1.
What is the InChIKey of 1-[2-(4-methylcyclohexyl)ethyl]-4-[3-(4-methylcyclohexyl)propoxy]benzene?
The InChIKey is WZDZNNDKVVXNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40O/c1-20-5-9-22(10-6-20)4-3-19-26-25-17-15-24(16-18-25)14-13-23-11-7-21(2)8-12-23/h15-18,20-23H,3-14,19H2,1-2H3.
What are the key properties of 1-[2-(4-methylcyclohexyl)ethyl]-4-[3-(4-methylcyclohexyl)propoxy]benzene?
1-[2-(4-methylcyclohexyl)ethyl]-4-[3-(4-methylcyclohexyl)propoxy]benzene has a molecular weight of 356.59 g/mol, XLogP of 7.43, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylcyclohexyl)ethyl]-4-[3-(4-methylcyclohexyl)propoxy]benzene is sourced from PubChem (CID 19739243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).