1-(4-butylcyclohexyl)-4-ethoxybenzene

C18H28O — CID 3019938

IUPAC1-(4-butylcyclohexyl)-4-ethoxybenzene
SMILESCCCCC1CCC(c2ccc(OCC)cc2)CC1
InChIInChI=1S/C18H28O/c1-3-5-6-15-7-9-16(10-8-15)17-11-13-18(14-12-17)19-4-2/h11-16H,3-10H2,1-2H3
InChIKeyMMWGNKDKZYGDKH-UHFFFAOYSA-N
MW260.42 g/mol
LogP5.55
Rot. Bonds6

About 1-(4-butylcyclohexyl)-4-ethoxybenzene

1-(4-butylcyclohexyl)-4-ethoxybenzene (PubChem CID 3019938) has the molecular formula C18H28O and a molecular weight of 260.42 g/mol. Its IUPAC name is 1-(4-butylcyclohexyl)-4-ethoxybenzene.

Molecular Properties

Compound Name1-(4-butylcyclohexyl)-4-ethoxybenzene
PubChem CID3019938
Molecular FormulaC18H28O
Molecular Weight260.42 g/mol
Exact Mass260.21
IUPAC Name1-(4-butylcyclohexyl)-4-ethoxybenzene
SMILESCCCCC1CCC(c2ccc(OCC)cc2)CC1
InChIInChI=1S/C18H28O/c1-3-5-6-15-7-9-16(10-8-15)17-11-13-18(14-12-17)19-4-2/h11-16H,3-10H2,1-2H3
InChIKeyMMWGNKDKZYGDKH-UHFFFAOYSA-N
XLogP5.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.42
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-butylcyclohexyl)-4-[2-(4-ethoxyphenyl)ethynyl]benzene
CID 23391128
1-ethoxy-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene
CID 18605125
1-ethoxy-4-[4-(4-undecylcyclohexyl)phenyl]benzene
CID 20539346
1-dodecoxy-4-(4-pentylcyclohexyl)benzene
CID 59711339
1,4-bis[10-[4-(4-pentylcyclohexyl)phenoxy]decoxy]benzene
CID 102012139
1-(4-pentylcyclohexyl)-4-[12-[4-(4-pentylcyclohexyl)phenoxy]dodecoxy]benzene
CID 59583298
1-(4-hexylcyclohexyl)-4-[3-(4-hexylcyclohexyl)propoxy]benzene
CID 19738763
1-[(E)-but-2-enoxy]-4-(4-butylcyclohexyl)benzene
CID 170842005
2-butyl-6-[4-(4-ethoxyphenyl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22384247
1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538404
1-octoxy-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20538876
1-(4-heptylcyclohexyl)-4-(4-pentoxyphenyl)benzene
CID 20539032

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylcyclohexyl)-4-ethoxybenzene?
The IUPAC name of 1-(4-butylcyclohexyl)-4-ethoxybenzene (CID 3019938) is 1-(4-butylcyclohexyl)-4-ethoxybenzene.
What is the SMILES notation for 1-(4-butylcyclohexyl)-4-ethoxybenzene?
The canonical SMILES for 1-(4-butylcyclohexyl)-4-ethoxybenzene is CCCCC1CCC(c2ccc(OCC)cc2)CC1.
What is the InChIKey of 1-(4-butylcyclohexyl)-4-ethoxybenzene?
The InChIKey is MMWGNKDKZYGDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O/c1-3-5-6-15-7-9-16(10-8-15)17-11-13-18(14-12-17)19-4-2/h11-16H,3-10H2,1-2H3.
What are the key properties of 1-(4-butylcyclohexyl)-4-ethoxybenzene?
1-(4-butylcyclohexyl)-4-ethoxybenzene has a molecular weight of 260.42 g/mol, XLogP of 5.55, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylcyclohexyl)-4-ethoxybenzene is sourced from PubChem (CID 3019938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).