1-hydroxyphenanthrene-3,4-dione

C14H8O3 — CID 14905308

IUPAC1-hydroxyphenanthrene-3,4-dione
SMILESO=C1C=C(O)c2ccc3ccccc3c2C1=O
InChIInChI=1S/C14H8O3/c15-11-7-12(16)14(17)13-9-4-2-1-3-8(9)5-6-10(11)13/h1-7,15H
InChIKeyGLCRTUABBGASGH-UHFFFAOYSA-N
MW224.22 g/mol
LogP2.50
Rot. Bonds

About 1-hydroxyphenanthrene-3,4-dione

1-hydroxyphenanthrene-3,4-dione (PubChem CID 14905308) has the molecular formula C14H8O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is 1-hydroxyphenanthrene-3,4-dione.

Molecular Properties

Compound Name1-hydroxyphenanthrene-3,4-dione
PubChem CID14905308
Molecular FormulaC14H8O3
Molecular Weight224.22 g/mol
Exact Mass224.05
IUPAC Name1-hydroxyphenanthrene-3,4-dione
SMILESO=C1C=C(O)c2ccc3ccccc3c2C1=O
InChIInChI=1S/C14H8O3/c15-11-7-12(16)14(17)13-9-4-2-1-3-8(9)5-6-10(11)13/h1-7,15H
InChIKeyGLCRTUABBGASGH-UHFFFAOYSA-N
XLogP2.50
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

benzo[c]fluoren-7-one
CID 22413
nonacyclo[30.8.0.02,11.03,8.012,21.015,20.022,31.023,28.035,40]tetraconta-1(32),2(11),3,5,7,9,12(21),13,15,17,19,22(31),23,25,27,29,33,35,37,39-icosaene
CID 15525083
2,3-dimethoxyphenanthrene-1,4-dione
CID 14003225
1-hydroxy-2-(2-methylbut-3-en-2-yl)phenanthrene-3,4-dione
CID 68600365
3-(1,2,4-trioxophenanthren-3-yl)phenanthrene-1,2,4-trione
CID 10343512
8,9,10,11-tetradeuteriobenzo[a]anthracene-7,12-dione
CID 169434082
heptacyclo[15.12.0.02,15.03,12.04,9.020,29.023,28]nonacosa-1(17),2(15),3(12),4,6,8,10,13,18,20(29),21,23,25,27-tetradecaen-16-one
CID 102495054
4,5-dihydroxyanthracene-1,2-dione
CID 18977667
naphtho[1,2-h]quinoline-11,12-dione
CID 126542594
1-phenylbenzo[c]phenanthrene-5,6-dione
CID 10892989
CID 122398386
CID 122398386
8-bromobenzo[a]anthracene-7,12-dione;4,8-dibromobenzo[a]anthracene-7,12-dione
CID 160743910

Frequently Asked Questions

What is the IUPAC name of 1-hydroxyphenanthrene-3,4-dione?
The IUPAC name of 1-hydroxyphenanthrene-3,4-dione (CID 14905308) is 1-hydroxyphenanthrene-3,4-dione.
What is the SMILES notation for 1-hydroxyphenanthrene-3,4-dione?
The canonical SMILES for 1-hydroxyphenanthrene-3,4-dione is O=C1C=C(O)c2ccc3ccccc3c2C1=O.
What is the InChIKey of 1-hydroxyphenanthrene-3,4-dione?
The InChIKey is GLCRTUABBGASGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8O3/c15-11-7-12(16)14(17)13-9-4-2-1-3-8(9)5-6-10(11)13/h1-7,15H.
What are the key properties of 1-hydroxyphenanthrene-3,4-dione?
1-hydroxyphenanthrene-3,4-dione has a molecular weight of 224.22 g/mol, XLogP of 2.50, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxyphenanthrene-3,4-dione is sourced from PubChem (CID 14905308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).