4-[(4-hydroxy-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-ol

C15H28O2 — CID 18417158

IUPAC4-[(4-hydroxy-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-ol
SMILESCC1CC(CC2CCC(O)C(C)C2)CCC1O
InChIInChI=1S/C15H28O2/c1-10-7-12(3-5-14(10)16)9-13-4-6-15(17)11(2)8-13/h10-17H,3-9H2,1-2H3
InChIKeyWPRWKMPQKRBIGC-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.97
Rot. Bonds2

About 4-[(4-hydroxy-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-ol

4-[(4-hydroxy-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-ol (PubChem CID 18417158) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 4-[(4-hydroxy-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-ol.

Molecular Properties

Compound Name4-[(4-hydroxy-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-ol
PubChem CID18417158
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name4-[(4-hydroxy-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-ol
SMILESCC1CC(CC2CCC(O)C(C)C2)CCC1O
InChIInChI=1S/C15H28O2/c1-10-7-12(3-5-14(10)16)9-13-4-6-15(17)11(2)8-13/h10-17H,3-9H2,1-2H3
InChIKeyWPRWKMPQKRBIGC-UHFFFAOYSA-N
XLogP2.97
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxy-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-ol?
The IUPAC name of 4-[(4-hydroxy-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-ol (CID 18417158) is 4-[(4-hydroxy-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-ol.
What is the SMILES notation for 4-[(4-hydroxy-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-ol?
The canonical SMILES for 4-[(4-hydroxy-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-ol is CC1CC(CC2CCC(O)C(C)C2)CCC1O.
What is the InChIKey of 4-[(4-hydroxy-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-ol?
The InChIKey is WPRWKMPQKRBIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-10-7-12(3-5-14(10)16)9-13-4-6-15(17)11(2)8-13/h10-17H,3-9H2,1-2H3.
What are the key properties of 4-[(4-hydroxy-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-ol?
4-[(4-hydroxy-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-ol has a molecular weight of 240.39 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxy-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-ol is sourced from PubChem (CID 18417158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).