(4-methoxycyclohexyl)methanol

C8H16O2 — CID 18533153

IUPAC(4-methoxycyclohexyl)methanol
SMILESCOC1CCC(CO)CC1
InChIInChI=1S/C8H16O2/c1-10-8-4-2-7(6-9)3-5-8/h7-9H,2-6H2,1H3
InChIKeyNCHJRCMIGDFPBX-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.18
Rot. Bonds2

About (4-methoxycyclohexyl)methanol

(4-methoxycyclohexyl)methanol (PubChem CID 18533153) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is (4-methoxycyclohexyl)methanol.

Molecular Properties

Compound Name(4-methoxycyclohexyl)methanol
PubChem CID18533153
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name(4-methoxycyclohexyl)methanol
SMILESCOC1CCC(CO)CC1
InChIInChI=1S/C8H16O2/c1-10-8-4-2-7(6-9)3-5-8/h7-9H,2-6H2,1H3
InChIKeyNCHJRCMIGDFPBX-UHFFFAOYSA-N
XLogP1.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-methoxycyclohexyl)methanol?
The IUPAC name of (4-methoxycyclohexyl)methanol (CID 18533153) is (4-methoxycyclohexyl)methanol.
What is the SMILES notation for (4-methoxycyclohexyl)methanol?
The canonical SMILES for (4-methoxycyclohexyl)methanol is COC1CCC(CO)CC1.
What is the InChIKey of (4-methoxycyclohexyl)methanol?
The InChIKey is NCHJRCMIGDFPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-10-8-4-2-7(6-9)3-5-8/h7-9H,2-6H2,1H3.
What are the key properties of (4-methoxycyclohexyl)methanol?
(4-methoxycyclohexyl)methanol has a molecular weight of 144.21 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxycyclohexyl)methanol is sourced from PubChem (CID 18533153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).