4-(4-ethylcyclohexyl)butoxybenzene

C18H28O — CID 144750158

IUPAC4-(4-ethylcyclohexyl)butoxybenzene
SMILESCCC1CCC(CCCCOc2ccccc2)CC1
InChIInChI=1S/C18H28O/c1-2-16-11-13-17(14-12-16)8-6-7-15-19-18-9-4-3-5-10-18/h3-5,9-10,16-17H,2,6-8,11-15H2,1H3
InChIKeyKUUYWTKXUYUVHL-UHFFFAOYSA-N
MW260.42 g/mol
LogP5.45
Rot. Bonds7

About 4-(4-ethylcyclohexyl)butoxybenzene

4-(4-ethylcyclohexyl)butoxybenzene (PubChem CID 144750158) has the molecular formula C18H28O and a molecular weight of 260.42 g/mol. Its IUPAC name is 4-(4-ethylcyclohexyl)butoxybenzene.

Molecular Properties

Compound Name4-(4-ethylcyclohexyl)butoxybenzene
PubChem CID144750158
Molecular FormulaC18H28O
Molecular Weight260.42 g/mol
Exact Mass260.21
IUPAC Name4-(4-ethylcyclohexyl)butoxybenzene
SMILESCCC1CCC(CCCCOc2ccccc2)CC1
InChIInChI=1S/C18H28O/c1-2-16-11-13-17(14-12-16)8-6-7-15-19-18-9-4-3-5-10-18/h3-5,9-10,16-17H,2,6-8,11-15H2,1H3
InChIKeyKUUYWTKXUYUVHL-UHFFFAOYSA-N
XLogP5.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.42
LogP ≤ 55.45
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-octoxy-4-[3-(4-pentylcyclohexyl)propoxy]benzene
CID 54461890
(4-hexylcyclohexyl)methoxybenzene
CID 57019623
1-[2-(4-ethylcyclohexyl)ethyl]-4-[3-(4-ethylcyclohexyl)propoxy]benzene
CID 19739072
1-[3-(4-ethylcyclohexyl)propoxy]-4-[(4-hexylcyclohexyl)methoxy]benzene
CID 19738873
1-(6-phenoxyhexoxy)-4-(4-propylcyclohexyl)benzene
CID 102047471
1-butoxy-4-[3-(4-heptylcyclohexyl)propoxy]benzene
CID 19738947
1-butoxy-4-[3-(4-propylcyclohexyl)propoxy]benzene
CID 19739002
1-[3-(4-ethylcyclohexyl)propoxy]-4-[2-(4-methylcyclohexyl)ethyl]benzene
CID 19739078
1-[3-(4-nonylcyclohexyl)propoxy]-4-[4-[3-(4-nonylcyclohexyl)propoxy]phenyl]benzene
CID 19738837
1,4-bis[10-[4-(4-pentylcyclohexyl)phenoxy]decoxy]benzene
CID 102012139
1-dodecoxy-4-(4-pentylcyclohexyl)benzene
CID 59711339
1-(4-pentylcyclohexyl)-4-[12-[4-(4-pentylcyclohexyl)phenoxy]dodecoxy]benzene
CID 59583298

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylcyclohexyl)butoxybenzene?
The IUPAC name of 4-(4-ethylcyclohexyl)butoxybenzene (CID 144750158) is 4-(4-ethylcyclohexyl)butoxybenzene.
What is the SMILES notation for 4-(4-ethylcyclohexyl)butoxybenzene?
The canonical SMILES for 4-(4-ethylcyclohexyl)butoxybenzene is CCC1CCC(CCCCOc2ccccc2)CC1.
What is the InChIKey of 4-(4-ethylcyclohexyl)butoxybenzene?
The InChIKey is KUUYWTKXUYUVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O/c1-2-16-11-13-17(14-12-16)8-6-7-15-19-18-9-4-3-5-10-18/h3-5,9-10,16-17H,2,6-8,11-15H2,1H3.
What are the key properties of 4-(4-ethylcyclohexyl)butoxybenzene?
4-(4-ethylcyclohexyl)butoxybenzene has a molecular weight of 260.42 g/mol, XLogP of 5.45, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylcyclohexyl)butoxybenzene is sourced from PubChem (CID 144750158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).