8-hydroxyphenanthrene-3-carbonitrile

C15H9NO — CID 141318774

IUPAC8-hydroxyphenanthrene-3-carbonitrile
SMILESN#Cc1ccc2ccc3c(O)cccc3c2c1
InChIInChI=1S/C15H9NO/c16-9-10-4-5-11-6-7-13-12(14(11)8-10)2-1-3-15(13)17/h1-8,17H
InChIKeyIMGWEQQLAODHPP-UHFFFAOYSA-N
MW219.24 g/mol
LogP3.57
Rot. Bonds

About 8-hydroxyphenanthrene-3-carbonitrile

8-hydroxyphenanthrene-3-carbonitrile (PubChem CID 141318774) has the molecular formula C15H9NO and a molecular weight of 219.24 g/mol. Its IUPAC name is 8-hydroxyphenanthrene-3-carbonitrile.

Molecular Properties

Compound Name8-hydroxyphenanthrene-3-carbonitrile
PubChem CID141318774
Molecular FormulaC15H9NO
Molecular Weight219.24 g/mol
Exact Mass219.07
IUPAC Name8-hydroxyphenanthrene-3-carbonitrile
SMILESN#Cc1ccc2ccc3c(O)cccc3c2c1
InChIInChI=1S/C15H9NO/c16-9-10-4-5-11-6-7-13-12(14(11)8-10)2-1-3-15(13)17/h1-8,17H
InChIKeyIMGWEQQLAODHPP-UHFFFAOYSA-N
XLogP3.57
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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10,12-dioxo-11-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene-4-carbonitrile
CID 54291845
6-chrysen-6-ylnaphthalene-2-carbonitrile
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3-hydroxy-4-(hydroxymethyl)benzonitrile
CID 18779740
anthracene-2,9-dicarbonitrile
CID 22395387
10-benzylphenanthrene-2-carbonitrile
CID 162401077
8-nitronaphthalene-2-carbonitrile
CID 12060830
4-(2,6-dihydroxyphenyl)benzonitrile
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5,7-dioxobenzo[d][2]benzoxepine-3-carbonitrile
CID 141358162
12-methyl-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene-7-carbonitrile
CID 118860561

Frequently Asked Questions

What is the IUPAC name of 8-hydroxyphenanthrene-3-carbonitrile?
The IUPAC name of 8-hydroxyphenanthrene-3-carbonitrile (CID 141318774) is 8-hydroxyphenanthrene-3-carbonitrile.
What is the SMILES notation for 8-hydroxyphenanthrene-3-carbonitrile?
The canonical SMILES for 8-hydroxyphenanthrene-3-carbonitrile is N#Cc1ccc2ccc3c(O)cccc3c2c1.
What is the InChIKey of 8-hydroxyphenanthrene-3-carbonitrile?
The InChIKey is IMGWEQQLAODHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9NO/c16-9-10-4-5-11-6-7-13-12(14(11)8-10)2-1-3-15(13)17/h1-8,17H.
What are the key properties of 8-hydroxyphenanthrene-3-carbonitrile?
8-hydroxyphenanthrene-3-carbonitrile has a molecular weight of 219.24 g/mol, XLogP of 3.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxyphenanthrene-3-carbonitrile is sourced from PubChem (CID 141318774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).