1-(1-hydroxyanthracen-9-yl)ethanone

C16H12O2 — CID 21140475

IUPAC1-(1-hydroxyanthracen-9-yl)ethanone
SMILESCC(=O)c1c2ccccc2cc2cccc(O)c12
InChIInChI=1S/C16H12O2/c1-10(17)15-13-7-3-2-5-11(13)9-12-6-4-8-14(18)16(12)15/h2-9,18H,1H3
InChIKeyKAJCWFLCVNSHLE-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.90
Rot. Bonds1

About 1-(1-hydroxyanthracen-9-yl)ethanone

1-(1-hydroxyanthracen-9-yl)ethanone (PubChem CID 21140475) has the molecular formula C16H12O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-(1-hydroxyanthracen-9-yl)ethanone.

Molecular Properties

Compound Name1-(1-hydroxyanthracen-9-yl)ethanone
PubChem CID21140475
Molecular FormulaC16H12O2
Molecular Weight236.27 g/mol
Exact Mass236.08
IUPAC Name1-(1-hydroxyanthracen-9-yl)ethanone
SMILESCC(=O)c1c2ccccc2cc2cccc(O)c12
InChIInChI=1S/C16H12O2/c1-10(17)15-13-7-3-2-5-11(13)9-12-6-4-8-14(18)16(12)15/h2-9,18H,1H3
InChIKeyKAJCWFLCVNSHLE-UHFFFAOYSA-N
XLogP3.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_naphthol_A(2)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1-(2,3,4-triacetylpentacen-1-yl)ethanone
CID 87274397
1-(2,3-dimethylnaphthalen-1-yl)ethanone
CID 19884371
anthracene-1,9-dicarboxylic acid
CID 13155838
3-(anthracene-9-carbonyl)pentane-2,4-dione
CID 102379798
1-(10-acetylanthracen-9-yl)ethanone
CID 12739255
CID 59762583
CID 59762583
1-(4-acetyl-2,3-dihydroxynaphthalen-1-yl)ethanone
CID 57373259
benzo[a]anthracen-1-ol;methane
CID 88728153
azane;benzo[a]anthracen-1-ol
CID 87178862
3-anthracen-9-ylbut-2-enal
CID 174857112
2,3,8-trihydroxynaphthalene-1-carboxamide
CID 121226651
pyrene-4,9-diol
CID 15270756

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxyanthracen-9-yl)ethanone?
The IUPAC name of 1-(1-hydroxyanthracen-9-yl)ethanone (CID 21140475) is 1-(1-hydroxyanthracen-9-yl)ethanone.
What is the SMILES notation for 1-(1-hydroxyanthracen-9-yl)ethanone?
The canonical SMILES for 1-(1-hydroxyanthracen-9-yl)ethanone is CC(=O)c1c2ccccc2cc2cccc(O)c12.
What is the InChIKey of 1-(1-hydroxyanthracen-9-yl)ethanone?
The InChIKey is KAJCWFLCVNSHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O2/c1-10(17)15-13-7-3-2-5-11(13)9-12-6-4-8-14(18)16(12)15/h2-9,18H,1H3.
What are the key properties of 1-(1-hydroxyanthracen-9-yl)ethanone?
1-(1-hydroxyanthracen-9-yl)ethanone has a molecular weight of 236.27 g/mol, XLogP of 3.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxyanthracen-9-yl)ethanone is sourced from PubChem (CID 21140475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).