1-(3-cyclohexylpropyl)-4-ethoxybenzene

C17H26O — CID 57232789

IUPAC1-(3-cyclohexylpropyl)-4-ethoxybenzene
SMILESCCOc1ccc(CCCC2CCCCC2)cc1
InChIInChI=1S/C17H26O/c1-2-18-17-13-11-16(12-14-17)10-6-9-15-7-4-3-5-8-15/h11-15H,2-10H2,1H3
InChIKeyCYCMLVBDZDEEFJ-UHFFFAOYSA-N
MW246.39 g/mol
LogP4.99
Rot. Bonds6

About 1-(3-cyclohexylpropyl)-4-ethoxybenzene

1-(3-cyclohexylpropyl)-4-ethoxybenzene (PubChem CID 57232789) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 1-(3-cyclohexylpropyl)-4-ethoxybenzene.

Molecular Properties

Compound Name1-(3-cyclohexylpropyl)-4-ethoxybenzene
PubChem CID57232789
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name1-(3-cyclohexylpropyl)-4-ethoxybenzene
SMILESCCOc1ccc(CCCC2CCCCC2)cc1
InChIInChI=1S/C17H26O/c1-2-18-17-13-11-16(12-14-17)10-6-9-15-7-4-3-5-8-15/h11-15H,2-10H2,1H3
InChIKeyCYCMLVBDZDEEFJ-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)-3-ethoxybenzene
CID 91039884
4-[5-(4-ethoxyphenyl)pentyl]piperidine
CID 91362170
1-(3-cyclopentylpropyl)-4-methylbenzene
CID 149264652
1-(2-cyclohexylethyl)-4-(4-undecoxyphenyl)benzene
CID 173349817
1-(2-cyclohexylethyl)-4-(4-heptoxyphenyl)benzene
CID 173349748
1-octyl-4-[3-(4-pentylcyclohexyl)propoxy]benzene
CID 19739264
1-heptyl-4-[3-(4-hexylcyclohexyl)propoxy]benzene
CID 57294543
2-cyclobutyl-N-[(4-ethoxyphenyl)methyl]ethanamine
CID 115690193
1-[4-(5-cyclohexylpentoxy)phenyl]-2,3-difluoro-4-(4-pentylphenyl)benzene
CID 121459288
1-[2-(4-ethylcyclohexyl)ethyl]-4-[3-(4-ethylcyclohexyl)propoxy]benzene
CID 19739072
1,1-bis[3-(4-ethoxyphenyl)propyl]piperidin-1-ium
CID 137440377
4-(2-cyclohexylethyl)-1,2-diethoxybenzene
CID 91085338

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclohexylpropyl)-4-ethoxybenzene?
The IUPAC name of 1-(3-cyclohexylpropyl)-4-ethoxybenzene (CID 57232789) is 1-(3-cyclohexylpropyl)-4-ethoxybenzene.
What is the SMILES notation for 1-(3-cyclohexylpropyl)-4-ethoxybenzene?
The canonical SMILES for 1-(3-cyclohexylpropyl)-4-ethoxybenzene is CCOc1ccc(CCCC2CCCCC2)cc1.
What is the InChIKey of 1-(3-cyclohexylpropyl)-4-ethoxybenzene?
The InChIKey is CYCMLVBDZDEEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O/c1-2-18-17-13-11-16(12-14-17)10-6-9-15-7-4-3-5-8-15/h11-15H,2-10H2,1H3.
What are the key properties of 1-(3-cyclohexylpropyl)-4-ethoxybenzene?
1-(3-cyclohexylpropyl)-4-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)-4-ethoxybenzene is sourced from PubChem (CID 57232789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).