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

C27H44O — CID 19739072

IUPAC1-[2-(4-ethylcyclohexyl)ethyl]-4-[3-(4-ethylcyclohexyl)propoxy]benzene
SMILESCCC1CCC(CCCOc2ccc(CCC3CCC(CC)CC3)cc2)CC1
InChIInChI=1S/C27H44O/c1-3-22-7-11-24(12-8-22)6-5-21-28-27-19-17-26(18-20-27)16-15-25-13-9-23(4-2)10-14-25/h17-20,22-25H,3-16,21H2,1-2H3
InChIKeyRWQSUEJNGTYLLN-UHFFFAOYSA-N
MW384.65 g/mol
LogP8.21
Rot. Bonds10

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

1-[2-(4-ethylcyclohexyl)ethyl]-4-[3-(4-ethylcyclohexyl)propoxy]benzene (PubChem CID 19739072) has the molecular formula C27H44O and a molecular weight of 384.65 g/mol. Its IUPAC name is 1-[2-(4-ethylcyclohexyl)ethyl]-4-[3-(4-ethylcyclohexyl)propoxy]benzene.

Molecular Properties

Compound Name1-[2-(4-ethylcyclohexyl)ethyl]-4-[3-(4-ethylcyclohexyl)propoxy]benzene
PubChem CID19739072
Molecular FormulaC27H44O
Molecular Weight384.65 g/mol
Exact Mass384.34
IUPAC Name1-[2-(4-ethylcyclohexyl)ethyl]-4-[3-(4-ethylcyclohexyl)propoxy]benzene
SMILESCCC1CCC(CCCOc2ccc(CCC3CCC(CC)CC3)cc2)CC1
InChIInChI=1S/C27H44O/c1-3-22-7-11-24(12-8-22)6-5-21-28-27-19-17-26(18-20-27)16-15-25-13-9-23(4-2)10-14-25/h17-20,22-25H,3-16,21H2,1-2H3
InChIKeyRWQSUEJNGTYLLN-UHFFFAOYSA-N
XLogP8.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.65
LogP ≤ 58.21
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-methylcyclohexyl)ethyl]-4-[3-(4-methylcyclohexyl)propoxy]benzene
CID 19739243
1-butoxy-4-[2-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]ethynyl]benzene
CID 67865149
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-[3-(4-propylcyclohexyl)propoxy]benzene
CID 19739002
1-ethyl-4-[3-(4-pentylcyclohexyl)propoxy]benzene
CID 19739084
1-[3-(4-ethylcyclohexyl)propoxy]-4-[(4-hexylcyclohexyl)methoxy]benzene
CID 19738873
4-(4-ethylcyclohexyl)butoxybenzene
CID 144750158
1-butoxy-4-[3-(4-heptylcyclohexyl)propoxy]benzene
CID 19738947

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylcyclohexyl)ethyl]-4-[3-(4-ethylcyclohexyl)propoxy]benzene?
The IUPAC name of 1-[2-(4-ethylcyclohexyl)ethyl]-4-[3-(4-ethylcyclohexyl)propoxy]benzene (CID 19739072) is 1-[2-(4-ethylcyclohexyl)ethyl]-4-[3-(4-ethylcyclohexyl)propoxy]benzene.
What is the SMILES notation for 1-[2-(4-ethylcyclohexyl)ethyl]-4-[3-(4-ethylcyclohexyl)propoxy]benzene?
The canonical SMILES for 1-[2-(4-ethylcyclohexyl)ethyl]-4-[3-(4-ethylcyclohexyl)propoxy]benzene is CCC1CCC(CCCOc2ccc(CCC3CCC(CC)CC3)cc2)CC1.
What is the InChIKey of 1-[2-(4-ethylcyclohexyl)ethyl]-4-[3-(4-ethylcyclohexyl)propoxy]benzene?
The InChIKey is RWQSUEJNGTYLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H44O/c1-3-22-7-11-24(12-8-22)6-5-21-28-27-19-17-26(18-20-27)16-15-25-13-9-23(4-2)10-14-25/h17-20,22-25H,3-16,21H2,1-2H3.
What are the key properties of 1-[2-(4-ethylcyclohexyl)ethyl]-4-[3-(4-ethylcyclohexyl)propoxy]benzene?
1-[2-(4-ethylcyclohexyl)ethyl]-4-[3-(4-ethylcyclohexyl)propoxy]benzene has a molecular weight of 384.65 g/mol, XLogP of 8.21, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylcyclohexyl)ethyl]-4-[3-(4-ethylcyclohexyl)propoxy]benzene is sourced from PubChem (CID 19739072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).