4-(hydroxymethyl)-2-methoxycyclohexan-1-ol

C8H16O3 — CID 11816008

IUPAC4-(hydroxymethyl)-2-methoxycyclohexan-1-ol
SMILESCOC1CC(CO)CCC1O
InChIInChI=1S/C8H16O3/c1-11-8-4-6(5-9)2-3-7(8)10/h6-10H,2-5H2,1H3
InChIKeyHEUXRYSFGZWPFM-UHFFFAOYSA-N
MW160.21 g/mol
LogP0.15
Rot. Bonds2

About 4-(hydroxymethyl)-2-methoxycyclohexan-1-ol

4-(hydroxymethyl)-2-methoxycyclohexan-1-ol (PubChem CID 11816008) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 4-(hydroxymethyl)-2-methoxycyclohexan-1-ol.

Molecular Properties

Compound Name4-(hydroxymethyl)-2-methoxycyclohexan-1-ol
PubChem CID11816008
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name4-(hydroxymethyl)-2-methoxycyclohexan-1-ol
SMILESCOC1CC(CO)CCC1O
InChIInChI=1S/C8H16O3/c1-11-8-4-6(5-9)2-3-7(8)10/h6-10H,2-5H2,1H3
InChIKeyHEUXRYSFGZWPFM-UHFFFAOYSA-N
XLogP0.15
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-2-methoxycyclohexan-1-ol?
The IUPAC name of 4-(hydroxymethyl)-2-methoxycyclohexan-1-ol (CID 11816008) is 4-(hydroxymethyl)-2-methoxycyclohexan-1-ol.
What is the SMILES notation for 4-(hydroxymethyl)-2-methoxycyclohexan-1-ol?
The canonical SMILES for 4-(hydroxymethyl)-2-methoxycyclohexan-1-ol is COC1CC(CO)CCC1O.
What is the InChIKey of 4-(hydroxymethyl)-2-methoxycyclohexan-1-ol?
The InChIKey is HEUXRYSFGZWPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-11-8-4-6(5-9)2-3-7(8)10/h6-10H,2-5H2,1H3.
What are the key properties of 4-(hydroxymethyl)-2-methoxycyclohexan-1-ol?
4-(hydroxymethyl)-2-methoxycyclohexan-1-ol has a molecular weight of 160.21 g/mol, XLogP of 0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-2-methoxycyclohexan-1-ol is sourced from PubChem (CID 11816008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).