4-(3-hydroxybutyl)cyclohexane-1,2-diol

C10H20O3 — CID 126548050

IUPAC4-(3-hydroxybutyl)cyclohexane-1,2-diol
SMILESCC(O)CCC1CCC(O)C(O)C1
InChIInChI=1S/C10H20O3/c1-7(11)2-3-8-4-5-9(12)10(13)6-8/h7-13H,2-6H2,1H3
InChIKeyLBDLVJPNALLIME-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.67
Rot. Bonds3

About 4-(3-hydroxybutyl)cyclohexane-1,2-diol

4-(3-hydroxybutyl)cyclohexane-1,2-diol (PubChem CID 126548050) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 4-(3-hydroxybutyl)cyclohexane-1,2-diol.

Molecular Properties

Compound Name4-(3-hydroxybutyl)cyclohexane-1,2-diol
PubChem CID126548050
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name4-(3-hydroxybutyl)cyclohexane-1,2-diol
SMILESCC(O)CCC1CCC(O)C(O)C1
InChIInChI=1S/C10H20O3/c1-7(11)2-3-8-4-5-9(12)10(13)6-8/h7-13H,2-6H2,1H3
InChIKeyLBDLVJPNALLIME-UHFFFAOYSA-N
XLogP0.67
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxybutyl)cyclohexane-1,2-diol?
The IUPAC name of 4-(3-hydroxybutyl)cyclohexane-1,2-diol (CID 126548050) is 4-(3-hydroxybutyl)cyclohexane-1,2-diol.
What is the SMILES notation for 4-(3-hydroxybutyl)cyclohexane-1,2-diol?
The canonical SMILES for 4-(3-hydroxybutyl)cyclohexane-1,2-diol is CC(O)CCC1CCC(O)C(O)C1.
What is the InChIKey of 4-(3-hydroxybutyl)cyclohexane-1,2-diol?
The InChIKey is LBDLVJPNALLIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-7(11)2-3-8-4-5-9(12)10(13)6-8/h7-13H,2-6H2,1H3.
What are the key properties of 4-(3-hydroxybutyl)cyclohexane-1,2-diol?
4-(3-hydroxybutyl)cyclohexane-1,2-diol has a molecular weight of 188.27 g/mol, XLogP of 0.67, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxybutyl)cyclohexane-1,2-diol is sourced from PubChem (CID 126548050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).