3-Phenanthrol

C14H10O — CID 95724

IUPACphenanthren-3-ol
SMILESC1=CC=C2C(=C1)C=CC3=C2C=C(C=C3)O
InChIInChI=1S/C14H10O/c15-12-8-7-11-6-5-10-3-1-2-4-13(10)14(11)9-12/h1-9,15H
InChIKeyNGPOABOEXMDQBT-UHFFFAOYSA-N
MW194.23 g/mol
LogP4.00
Rot. Bonds

About 3-Phenanthrol

3-Phenanthrol (PubChem CID 95724) has the molecular formula C14H10O and a molecular weight of 194.23 g/mol. Its IUPAC name is phenanthren-3-ol.

Molecular Properties

Compound Name3-Phenanthrol
PubChem CID95724
Molecular FormulaC14H10O
Molecular Weight194.23 g/mol
Exact Mass194.07
IUPAC Namephenanthren-3-ol
SMILESC1=CC=C2C(=C1)C=CC3=C2C=C(C=C3)O
InChIInChI=1S/C14H10O/c15-12-8-7-11-6-5-10-3-1-2-4-13(10)14(11)9-12/h1-9,15H
InChIKeyNGPOABOEXMDQBT-UHFFFAOYSA-N
XLogP4.00
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity225

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 54.00
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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Related Compounds

2-Naphthol
CID 8663
1-Naphthol
CID 7005
9-Phenanthrol
CID 10229
1-Hydroxypyrene
CID 21387
1,4-Naphthalenediol
CID 11305
4-Hydroxybiphenyl
CID 7103
2,3-Dihydroxynaphthalene
CID 7091
1,5-Dihydroxynaphthalene
CID 6749
trans-Ferruginol
CID 442027
Menadiol
CID 10209
(+)-Totarol
CID 92783
2,7-Naphthalenediol
CID 11397

Frequently Asked Questions

What is the IUPAC name of 3-Phenanthrol?
The IUPAC name of 3-Phenanthrol (CID 95724) is phenanthren-3-ol.
What is the SMILES notation for 3-Phenanthrol?
The canonical SMILES for 3-Phenanthrol is C1=CC=C2C(=C1)C=CC3=C2C=C(C=C3)O.
What is the InChIKey of 3-Phenanthrol?
The InChIKey is NGPOABOEXMDQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O/c15-12-8-7-11-6-5-10-3-1-2-4-13(10)14(11)9-12/h1-9,15H.
What are the key properties of 3-Phenanthrol?
3-Phenanthrol has a molecular weight of 194.23 g/mol, XLogP of 4.00, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-Phenanthrol is sourced from PubChem (CID 95724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).