2-phenanthren-9-ylpropan-2-ol

C17H16O — CID 10681303

IUPAC2-phenanthren-9-ylpropan-2-ol
SMILESCC(C)(O)c1cc2ccccc2c2ccccc12
InChIInChI=1S/C17H16O/c1-17(2,18)16-11-12-7-3-4-8-13(12)14-9-5-6-10-15(14)16/h3-11,18H,1-2H3
InChIKeyLXKGIGAAMCEJIF-UHFFFAOYSA-N
MW236.31 g/mol
LogP4.22
Rot. Bonds1

About 2-phenanthren-9-ylpropan-2-ol

2-phenanthren-9-ylpropan-2-ol (PubChem CID 10681303) has the molecular formula C17H16O and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-phenanthren-9-ylpropan-2-ol.

Molecular Properties

Compound Name2-phenanthren-9-ylpropan-2-ol
PubChem CID10681303
Molecular FormulaC17H16O
Molecular Weight236.31 g/mol
Exact Mass236.12
IUPAC Name2-phenanthren-9-ylpropan-2-ol
SMILESCC(C)(O)c1cc2ccccc2c2ccccc12
InChIInChI=1S/C17H16O/c1-17(2,18)16-11-12-7-3-4-8-13(12)14-9-5-6-10-15(14)16/h3-11,18H,1-2H3
InChIKeyLXKGIGAAMCEJIF-UHFFFAOYSA-N
XLogP4.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 54.22
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 2-phenanthren-9-ylpropan-2-ol?
The IUPAC name of 2-phenanthren-9-ylpropan-2-ol (CID 10681303) is 2-phenanthren-9-ylpropan-2-ol.
What is the SMILES notation for 2-phenanthren-9-ylpropan-2-ol?
The canonical SMILES for 2-phenanthren-9-ylpropan-2-ol is CC(C)(O)c1cc2ccccc2c2ccccc12.
What is the InChIKey of 2-phenanthren-9-ylpropan-2-ol?
The InChIKey is LXKGIGAAMCEJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O/c1-17(2,18)16-11-12-7-3-4-8-13(12)14-9-5-6-10-15(14)16/h3-11,18H,1-2H3.
What are the key properties of 2-phenanthren-9-ylpropan-2-ol?
2-phenanthren-9-ylpropan-2-ol has a molecular weight of 236.31 g/mol, XLogP of 4.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenanthren-9-ylpropan-2-ol is sourced from PubChem (CID 10681303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).