1-phenanthren-9-ylcyclohexan-1-ol

C20H20O — CID 4130326

IUPAC1-phenanthren-9-ylcyclohexan-1-ol
SMILESOC1(c2cc3ccccc3c3ccccc23)CCCCC1
InChIInChI=1S/C20H20O/c21-20(12-6-1-7-13-20)19-14-15-8-2-3-9-16(15)17-10-4-5-11-18(17)19/h2-5,8-11,14,21H,1,6-7,12-13H2
InChIKeyLJOLNWJDSJIHKE-UHFFFAOYSA-N
MW276.38 g/mol
LogP5.14
Rot. Bonds1

About 1-phenanthren-9-ylcyclohexan-1-ol

1-phenanthren-9-ylcyclohexan-1-ol (PubChem CID 4130326) has the molecular formula C20H20O and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-phenanthren-9-ylcyclohexan-1-ol.

Molecular Properties

Compound Name1-phenanthren-9-ylcyclohexan-1-ol
PubChem CID4130326
Molecular FormulaC20H20O
Molecular Weight276.38 g/mol
Exact Mass276.15
IUPAC Name1-phenanthren-9-ylcyclohexan-1-ol
SMILESOC1(c2cc3ccccc3c3ccccc23)CCCCC1
InChIInChI=1S/C20H20O/c21-20(12-6-1-7-13-20)19-14-15-8-2-3-9-16(15)17-10-4-5-11-18(17)19/h2-5,8-11,14,21H,1,6-7,12-13H2
InChIKeyLJOLNWJDSJIHKE-UHFFFAOYSA-N
XLogP5.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.38
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-phenanthren-9-ylcyclohexan-1-ol?
The IUPAC name of 1-phenanthren-9-ylcyclohexan-1-ol (CID 4130326) is 1-phenanthren-9-ylcyclohexan-1-ol.
What is the SMILES notation for 1-phenanthren-9-ylcyclohexan-1-ol?
The canonical SMILES for 1-phenanthren-9-ylcyclohexan-1-ol is OC1(c2cc3ccccc3c3ccccc23)CCCCC1.
What is the InChIKey of 1-phenanthren-9-ylcyclohexan-1-ol?
The InChIKey is LJOLNWJDSJIHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O/c21-20(12-6-1-7-13-20)19-14-15-8-2-3-9-16(15)17-10-4-5-11-18(17)19/h2-5,8-11,14,21H,1,6-7,12-13H2.
What are the key properties of 1-phenanthren-9-ylcyclohexan-1-ol?
1-phenanthren-9-ylcyclohexan-1-ol has a molecular weight of 276.38 g/mol, XLogP of 5.14, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenanthren-9-ylcyclohexan-1-ol is sourced from PubChem (CID 4130326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).