1-[4-(2-hydroxyethyl)cyclohexyl]butan-1-ol

C12H24O2 — CID 126505597

IUPAC1-[4-(2-hydroxyethyl)cyclohexyl]butan-1-ol
SMILESCCCC(O)C1CCC(CCO)CC1
InChIInChI=1S/C12H24O2/c1-2-3-12(14)11-6-4-10(5-7-11)8-9-13/h10-14H,2-9H2,1H3
InChIKeyNABUKLSVCVJCSC-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.34
Rot. Bonds5

About 1-[4-(2-hydroxyethyl)cyclohexyl]butan-1-ol

1-[4-(2-hydroxyethyl)cyclohexyl]butan-1-ol (PubChem CID 126505597) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 1-[4-(2-hydroxyethyl)cyclohexyl]butan-1-ol.

Molecular Properties

Compound Name1-[4-(2-hydroxyethyl)cyclohexyl]butan-1-ol
PubChem CID126505597
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name1-[4-(2-hydroxyethyl)cyclohexyl]butan-1-ol
SMILESCCCC(O)C1CCC(CCO)CC1
InChIInChI=1S/C12H24O2/c1-2-3-12(14)11-6-4-10(5-7-11)8-9-13/h10-14H,2-9H2,1H3
InChIKeyNABUKLSVCVJCSC-UHFFFAOYSA-N
XLogP2.34
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(hydroxymethyl)cyclohexyl]butan-1-ol
CID 126505676
1-cyclopropyl-3-(4-methylcyclohexyl)propan-1-ol
CID 64775324
1-(4-propan-2-ylcycloheptyl)butan-1-ol
CID 83050929
3-methyl-1-(4-propylcyclohexyl)hexan-1-ol
CID 65424878
1-[4-(2-methylbutan-2-yl)cyclohexyl]butan-1-ol
CID 83051969
1-cyclopropylpentan-1-ol
CID 551238
2-(4-butylcyclohexyl)ethanol
CID 15085164
1-(4-butylcyclohexyl)pent-4-yn-1-ol
CID 115799427
1-cyclopropylheptane-3,4-diol
CID 103455036
1-(4-butylcyclohexyl)-4-ethylsulfonylbutan-1-ol
CID 115803759
1-(4-butylcyclohexyl)hex-5-yn-1-ol
CID 115831781
1-(4-ethylcyclohexyl)-4,4-dimethylpentan-1-ol
CID 65394345

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxyethyl)cyclohexyl]butan-1-ol?
The IUPAC name of 1-[4-(2-hydroxyethyl)cyclohexyl]butan-1-ol (CID 126505597) is 1-[4-(2-hydroxyethyl)cyclohexyl]butan-1-ol.
What is the SMILES notation for 1-[4-(2-hydroxyethyl)cyclohexyl]butan-1-ol?
The canonical SMILES for 1-[4-(2-hydroxyethyl)cyclohexyl]butan-1-ol is CCCC(O)C1CCC(CCO)CC1.
What is the InChIKey of 1-[4-(2-hydroxyethyl)cyclohexyl]butan-1-ol?
The InChIKey is NABUKLSVCVJCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-2-3-12(14)11-6-4-10(5-7-11)8-9-13/h10-14H,2-9H2,1H3.
What are the key properties of 1-[4-(2-hydroxyethyl)cyclohexyl]butan-1-ol?
1-[4-(2-hydroxyethyl)cyclohexyl]butan-1-ol has a molecular weight of 200.32 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxyethyl)cyclohexyl]butan-1-ol is sourced from PubChem (CID 126505597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).