1-[4-(1-methoxypropyl)cyclohexyl]ethanol

C12H24O2 — CID 139792579

IUPAC1-[4-(1-methoxypropyl)cyclohexyl]ethanol
SMILESCCC(OC)C1CCC(C(C)O)CC1
InChIInChI=1S/C12H24O2/c1-4-12(14-3)11-7-5-10(6-8-11)9(2)13/h9-13H,4-8H2,1-3H3
InChIKeyACIAMLNWNNXICY-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.60
Rot. Bonds4

About 1-[4-(1-methoxypropyl)cyclohexyl]ethanol

1-[4-(1-methoxypropyl)cyclohexyl]ethanol (PubChem CID 139792579) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 1-[4-(1-methoxypropyl)cyclohexyl]ethanol.

Molecular Properties

Compound Name1-[4-(1-methoxypropyl)cyclohexyl]ethanol
PubChem CID139792579
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name1-[4-(1-methoxypropyl)cyclohexyl]ethanol
SMILESCCC(OC)C1CCC(C(C)O)CC1
InChIInChI=1S/C12H24O2/c1-4-12(14-3)11-7-5-10(6-8-11)9(2)13/h9-13H,4-8H2,1-3H3
InChIKeyACIAMLNWNNXICY-UHFFFAOYSA-N
XLogP2.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-methoxypropyl)cyclohexyl]ethanol?
The IUPAC name of 1-[4-(1-methoxypropyl)cyclohexyl]ethanol (CID 139792579) is 1-[4-(1-methoxypropyl)cyclohexyl]ethanol.
What is the SMILES notation for 1-[4-(1-methoxypropyl)cyclohexyl]ethanol?
The canonical SMILES for 1-[4-(1-methoxypropyl)cyclohexyl]ethanol is CCC(OC)C1CCC(C(C)O)CC1.
What is the InChIKey of 1-[4-(1-methoxypropyl)cyclohexyl]ethanol?
The InChIKey is ACIAMLNWNNXICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-4-12(14-3)11-7-5-10(6-8-11)9(2)13/h9-13H,4-8H2,1-3H3.
What are the key properties of 1-[4-(1-methoxypropyl)cyclohexyl]ethanol?
1-[4-(1-methoxypropyl)cyclohexyl]ethanol has a molecular weight of 200.32 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-methoxypropyl)cyclohexyl]ethanol is sourced from PubChem (CID 139792579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).