5-[2-(4-hydroxycyclohexyl)ethyl]-2-methylcyclohexane-1,3-diol

C15H28O3 — CID 170203236

IUPAC5-[2-(4-hydroxycyclohexyl)ethyl]-2-methylcyclohexane-1,3-diol
SMILESCC1C(O)CC(CCC2CCC(O)CC2)CC1O
InChIInChI=1S/C15H28O3/c1-10-14(17)8-12(9-15(10)18)3-2-11-4-6-13(16)7-5-11/h10-18H,2-9H2,1H3
InChIKeyIZIHZMHBNGTBDH-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.09
Rot. Bonds3

About 5-[2-(4-hydroxycyclohexyl)ethyl]-2-methylcyclohexane-1,3-diol

5-[2-(4-hydroxycyclohexyl)ethyl]-2-methylcyclohexane-1,3-diol (PubChem CID 170203236) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is 5-[2-(4-hydroxycyclohexyl)ethyl]-2-methylcyclohexane-1,3-diol.

Molecular Properties

Compound Name5-[2-(4-hydroxycyclohexyl)ethyl]-2-methylcyclohexane-1,3-diol
PubChem CID170203236
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Name5-[2-(4-hydroxycyclohexyl)ethyl]-2-methylcyclohexane-1,3-diol
SMILESCC1C(O)CC(CCC2CCC(O)CC2)CC1O
InChIInChI=1S/C15H28O3/c1-10-14(17)8-12(9-15(10)18)3-2-11-4-6-13(16)7-5-11/h10-18H,2-9H2,1H3
InChIKeyIZIHZMHBNGTBDH-UHFFFAOYSA-N
XLogP2.09
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-hydroxycyclohexyl)ethyl]-2-methylcyclohexane-1,3-diol?
The IUPAC name of 5-[2-(4-hydroxycyclohexyl)ethyl]-2-methylcyclohexane-1,3-diol (CID 170203236) is 5-[2-(4-hydroxycyclohexyl)ethyl]-2-methylcyclohexane-1,3-diol.
What is the SMILES notation for 5-[2-(4-hydroxycyclohexyl)ethyl]-2-methylcyclohexane-1,3-diol?
The canonical SMILES for 5-[2-(4-hydroxycyclohexyl)ethyl]-2-methylcyclohexane-1,3-diol is CC1C(O)CC(CCC2CCC(O)CC2)CC1O.
What is the InChIKey of 5-[2-(4-hydroxycyclohexyl)ethyl]-2-methylcyclohexane-1,3-diol?
The InChIKey is IZIHZMHBNGTBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O3/c1-10-14(17)8-12(9-15(10)18)3-2-11-4-6-13(16)7-5-11/h10-18H,2-9H2,1H3.
What are the key properties of 5-[2-(4-hydroxycyclohexyl)ethyl]-2-methylcyclohexane-1,3-diol?
5-[2-(4-hydroxycyclohexyl)ethyl]-2-methylcyclohexane-1,3-diol has a molecular weight of 256.39 g/mol, XLogP of 2.09, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-hydroxycyclohexyl)ethyl]-2-methylcyclohexane-1,3-diol is sourced from PubChem (CID 170203236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).