1-butan-2-yl-4-(3-ethylcyclohexyl)oxybenzene

C18H28O — CID 107669082

IUPAC1-butan-2-yl-4-(3-ethylcyclohexyl)oxybenzene
SMILESCCC1CCCC(Oc2ccc(C(C)CC)cc2)C1
InChIInChI=1S/C18H28O/c1-4-14(3)16-9-11-17(12-10-16)19-18-8-6-7-15(5-2)13-18/h9-12,14-15,18H,4-8,13H2,1-3H3
InChIKeyJIZMVYPCNPZJLH-UHFFFAOYSA-N
MW260.42 g/mol
LogP5.55
Rot. Bonds5

About 1-butan-2-yl-4-(3-ethylcyclohexyl)oxybenzene

1-butan-2-yl-4-(3-ethylcyclohexyl)oxybenzene (PubChem CID 107669082) has the molecular formula C18H28O and a molecular weight of 260.42 g/mol. Its IUPAC name is 1-butan-2-yl-4-(3-ethylcyclohexyl)oxybenzene.

Molecular Properties

Compound Name1-butan-2-yl-4-(3-ethylcyclohexyl)oxybenzene
PubChem CID107669082
Molecular FormulaC18H28O
Molecular Weight260.42 g/mol
Exact Mass260.21
IUPAC Name1-butan-2-yl-4-(3-ethylcyclohexyl)oxybenzene
SMILESCCC1CCCC(Oc2ccc(C(C)CC)cc2)C1
InChIInChI=1S/C18H28O/c1-4-14(3)16-9-11-17(12-10-16)19-18-8-6-7-15(5-2)13-18/h9-12,14-15,18H,4-8,13H2,1-3H3
InChIKeyJIZMVYPCNPZJLH-UHFFFAOYSA-N
XLogP5.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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

(1S)-1-[4-(3-ethylcyclohexyl)oxyphenyl]ethanamine
CID 78967085
4-[[3-(4-butan-2-ylphenoxy)cyclohexyl]methyl]benzenesulfonate
CID 123185460
1-[4-(3-ethylcyclohexyl)oxyphenyl]propan-2-one
CID 115495306
3-(4-butan-2-ylphenoxy)-1-methylpyrrolidine;2-methylpropane
CID 176937704
[1-amino-3-(4-butan-2-ylphenoxy)cyclohexyl]methanol
CID 107669171
ethane;1-(4-ethylcyclohexyl)oxy-4-propan-2-ylbenzene
CID 176986547
N-[[5-(3-ethylcyclohexyl)oxy-2-pyridinyl]methyl]ethanamine
CID 79775454
1-cyclopentyloxy-4-propan-2-ylbenzene
CID 10442918
5-(3-ethylcyclohexyl)oxy-2-methoxyaniline
CID 103201492
1-(4-cyclopropyloxyphenyl)propan-1-ol
CID 114518583
1-(3-methylcyclohexyl)oxy-4-propan-2-ylbenzene
CID 64764393
4-(3-ethylcyclohexyl)oxy-2-methylbenzoic acid
CID 81294246

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-(3-ethylcyclohexyl)oxybenzene?
The IUPAC name of 1-butan-2-yl-4-(3-ethylcyclohexyl)oxybenzene (CID 107669082) is 1-butan-2-yl-4-(3-ethylcyclohexyl)oxybenzene.
What is the SMILES notation for 1-butan-2-yl-4-(3-ethylcyclohexyl)oxybenzene?
The canonical SMILES for 1-butan-2-yl-4-(3-ethylcyclohexyl)oxybenzene is CCC1CCCC(Oc2ccc(C(C)CC)cc2)C1.
What is the InChIKey of 1-butan-2-yl-4-(3-ethylcyclohexyl)oxybenzene?
The InChIKey is JIZMVYPCNPZJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O/c1-4-14(3)16-9-11-17(12-10-16)19-18-8-6-7-15(5-2)13-18/h9-12,14-15,18H,4-8,13H2,1-3H3.
What are the key properties of 1-butan-2-yl-4-(3-ethylcyclohexyl)oxybenzene?
1-butan-2-yl-4-(3-ethylcyclohexyl)oxybenzene has a molecular weight of 260.42 g/mol, XLogP of 5.55, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-(3-ethylcyclohexyl)oxybenzene is sourced from PubChem (CID 107669082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).