2-(3-hydroxypropyl)-4-phenylcyclohexan-1-ol

C15H22O2 — CID 79422596

IUPAC2-(3-hydroxypropyl)-4-phenylcyclohexan-1-ol
SMILESOCCCC1CC(c2ccccc2)CCC1O
InChIInChI=1S/C15H22O2/c16-10-4-7-14-11-13(8-9-15(14)17)12-5-2-1-3-6-12/h1-3,5-6,13-17H,4,7-11H2
InChIKeyGABLLDRERGKANN-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.70
Rot. Bonds4

About 2-(3-hydroxypropyl)-4-phenylcyclohexan-1-ol

2-(3-hydroxypropyl)-4-phenylcyclohexan-1-ol (PubChem CID 79422596) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(3-hydroxypropyl)-4-phenylcyclohexan-1-ol.

Molecular Properties

Compound Name2-(3-hydroxypropyl)-4-phenylcyclohexan-1-ol
PubChem CID79422596
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name2-(3-hydroxypropyl)-4-phenylcyclohexan-1-ol
SMILESOCCCC1CC(c2ccccc2)CCC1O
InChIInChI=1S/C15H22O2/c16-10-4-7-14-11-13(8-9-15(14)17)12-5-2-1-3-6-12/h1-3,5-6,13-17H,4,7-11H2
InChIKeyGABLLDRERGKANN-UHFFFAOYSA-N
XLogP2.70
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropyl)-4-phenylcyclohexan-1-ol?
The IUPAC name of 2-(3-hydroxypropyl)-4-phenylcyclohexan-1-ol (CID 79422596) is 2-(3-hydroxypropyl)-4-phenylcyclohexan-1-ol.
What is the SMILES notation for 2-(3-hydroxypropyl)-4-phenylcyclohexan-1-ol?
The canonical SMILES for 2-(3-hydroxypropyl)-4-phenylcyclohexan-1-ol is OCCCC1CC(c2ccccc2)CCC1O.
What is the InChIKey of 2-(3-hydroxypropyl)-4-phenylcyclohexan-1-ol?
The InChIKey is GABLLDRERGKANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c16-10-4-7-14-11-13(8-9-15(14)17)12-5-2-1-3-6-12/h1-3,5-6,13-17H,4,7-11H2.
What are the key properties of 2-(3-hydroxypropyl)-4-phenylcyclohexan-1-ol?
2-(3-hydroxypropyl)-4-phenylcyclohexan-1-ol has a molecular weight of 234.34 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropyl)-4-phenylcyclohexan-1-ol is sourced from PubChem (CID 79422596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).