1-(3-cyclohexylpropyl)-3-ethoxybenzene

C17H26O — CID 91039884

IUPAC1-(3-cyclohexylpropyl)-3-ethoxybenzene
SMILESCCOc1cccc(CCCC2CCCCC2)c1
InChIInChI=1S/C17H26O/c1-2-18-17-13-7-12-16(14-17)11-6-10-15-8-4-3-5-9-15/h7,12-15H,2-6,8-11H2,1H3
InChIKeyWDVPRJNMJNROHR-UHFFFAOYSA-N
MW246.39 g/mol
LogP4.99
Rot. Bonds6

About 1-(3-cyclohexylpropyl)-3-ethoxybenzene

1-(3-cyclohexylpropyl)-3-ethoxybenzene (PubChem CID 91039884) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 1-(3-cyclohexylpropyl)-3-ethoxybenzene.

Molecular Properties

Compound Name1-(3-cyclohexylpropyl)-3-ethoxybenzene
PubChem CID91039884
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name1-(3-cyclohexylpropyl)-3-ethoxybenzene
SMILESCCOc1cccc(CCCC2CCCCC2)c1
InChIInChI=1S/C17H26O/c1-2-18-17-13-7-12-16(14-17)11-6-10-15-8-4-3-5-9-15/h7,12-15H,2-6,8-11H2,1H3
InChIKeyWDVPRJNMJNROHR-UHFFFAOYSA-N
XLogP4.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-cyclohexylpropyl)-4-ethoxybenzene
CID 57232789
1-(7-cyclopentylheptoxy)-3-nonylbenzene
CID 173313656
3-(3-cyclohexylpropyl)benzoic acid;1-(3-cyclohexylpropyl)-3-propoxybenzene
CID 91254679
1-(5-cyclohexylpentyl)-3-ethylbenzene
CID 91406519
N-[3-(3-ethoxyphenyl)propyl]cyclopropanamine
CID 79019318
1-(cyclohexylmethoxy)-3-ethylbenzene
CID 64765854
1-(3-cyclopentylpropyl)-3-fluorobenzene
CID 118922459
3-[3-(cyclopentylmethoxy)phenyl]-N-methylpropan-1-amine
CID 170001159
3-(3-ethoxyphenyl)-N,N-dimethylpropan-1-amine
CID 170865322
1-butoxy-3-[2-(4-methylcyclohexyl)ethyl]benzene
CID 59545229
1-(2-cyclopentylethyl)-3-phenoxybenzene
CID 91806427
[3-[(2S)-2-methylbutyl]phenoxy]methylcycloheptane
CID 126609950

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclohexylpropyl)-3-ethoxybenzene?
The IUPAC name of 1-(3-cyclohexylpropyl)-3-ethoxybenzene (CID 91039884) is 1-(3-cyclohexylpropyl)-3-ethoxybenzene.
What is the SMILES notation for 1-(3-cyclohexylpropyl)-3-ethoxybenzene?
The canonical SMILES for 1-(3-cyclohexylpropyl)-3-ethoxybenzene is CCOc1cccc(CCCC2CCCCC2)c1.
What is the InChIKey of 1-(3-cyclohexylpropyl)-3-ethoxybenzene?
The InChIKey is WDVPRJNMJNROHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O/c1-2-18-17-13-7-12-16(14-17)11-6-10-15-8-4-3-5-9-15/h7,12-15H,2-6,8-11H2,1H3.
What are the key properties of 1-(3-cyclohexylpropyl)-3-ethoxybenzene?
1-(3-cyclohexylpropyl)-3-ethoxybenzene has a molecular weight of 246.39 g/mol, XLogP of 4.99, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexylpropyl)-3-ethoxybenzene is sourced from PubChem (CID 91039884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).