2-(6-hydroxyhexyl)-4-phenylcyclohexan-1-ol

C18H28O2 — CID 107706337

IUPAC2-(6-hydroxyhexyl)-4-phenylcyclohexan-1-ol
SMILESOCCCCCCC1CC(c2ccccc2)CCC1O
InChIInChI=1S/C18H28O2/c19-13-7-2-1-4-10-17-14-16(11-12-18(17)20)15-8-5-3-6-9-15/h3,5-6,8-9,16-20H,1-2,4,7,10-14H2
InChIKeyVYYWLXAFGQHFNB-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.87
Rot. Bonds7

About 2-(6-hydroxyhexyl)-4-phenylcyclohexan-1-ol

2-(6-hydroxyhexyl)-4-phenylcyclohexan-1-ol (PubChem CID 107706337) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-(6-hydroxyhexyl)-4-phenylcyclohexan-1-ol.

Molecular Properties

Compound Name2-(6-hydroxyhexyl)-4-phenylcyclohexan-1-ol
PubChem CID107706337
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Name2-(6-hydroxyhexyl)-4-phenylcyclohexan-1-ol
SMILESOCCCCCCC1CC(c2ccccc2)CCC1O
InChIInChI=1S/C18H28O2/c19-13-7-2-1-4-10-17-14-16(11-12-18(17)20)15-8-5-3-6-9-15/h3,5-6,8-9,16-20H,1-2,4,7,10-14H2
InChIKeyVYYWLXAFGQHFNB-UHFFFAOYSA-N
XLogP3.87
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-hydroxyhexyl)-4-phenylcyclohexan-1-ol?
The IUPAC name of 2-(6-hydroxyhexyl)-4-phenylcyclohexan-1-ol (CID 107706337) is 2-(6-hydroxyhexyl)-4-phenylcyclohexan-1-ol.
What is the SMILES notation for 2-(6-hydroxyhexyl)-4-phenylcyclohexan-1-ol?
The canonical SMILES for 2-(6-hydroxyhexyl)-4-phenylcyclohexan-1-ol is OCCCCCCC1CC(c2ccccc2)CCC1O.
What is the InChIKey of 2-(6-hydroxyhexyl)-4-phenylcyclohexan-1-ol?
The InChIKey is VYYWLXAFGQHFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O2/c19-13-7-2-1-4-10-17-14-16(11-12-18(17)20)15-8-5-3-6-9-15/h3,5-6,8-9,16-20H,1-2,4,7,10-14H2.
What are the key properties of 2-(6-hydroxyhexyl)-4-phenylcyclohexan-1-ol?
2-(6-hydroxyhexyl)-4-phenylcyclohexan-1-ol has a molecular weight of 276.42 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-hydroxyhexyl)-4-phenylcyclohexan-1-ol is sourced from PubChem (CID 107706337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).