1-(6-hydroxy-1,2-dihydroacenaphthylen-5-yl)ethanone

C14H12O2 — CID 749958

IUPAC1-(6-hydroxy-1,2-dihydroacenaphthylen-5-yl)ethanone
SMILESCC(=O)c1ccc2c3c(ccc(O)c13)CC2
InChIInChI=1S/C14H12O2/c1-8(15)11-6-4-9-2-3-10-5-7-12(16)14(11)13(9)10/h4-7,16H,2-3H2,1H3
InChIKeyWKQXQXDJRLCOTQ-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.85
Rot. Bonds1

About 1-(6-hydroxy-1,2-dihydroacenaphthylen-5-yl)ethanone

1-(6-hydroxy-1,2-dihydroacenaphthylen-5-yl)ethanone (PubChem CID 749958) has the molecular formula C14H12O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 1-(6-hydroxy-1,2-dihydroacenaphthylen-5-yl)ethanone.

Molecular Properties

Compound Name1-(6-hydroxy-1,2-dihydroacenaphthylen-5-yl)ethanone
PubChem CID749958
Molecular FormulaC14H12O2
Molecular Weight212.25 g/mol
Exact Mass212.08
IUPAC Name1-(6-hydroxy-1,2-dihydroacenaphthylen-5-yl)ethanone
SMILESCC(=O)c1ccc2c3c(ccc(O)c13)CC2
InChIInChI=1S/C14H12O2/c1-8(15)11-6-4-9-2-3-10-5-7-12(16)14(11)13(9)10/h4-7,16H,2-3H2,1H3
InChIKeyWKQXQXDJRLCOTQ-UHFFFAOYSA-N
XLogP2.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(6-hydroxy-1,2-dihydroacenaphthylen-5-yl)ethanone?
The IUPAC name of 1-(6-hydroxy-1,2-dihydroacenaphthylen-5-yl)ethanone (CID 749958) is 1-(6-hydroxy-1,2-dihydroacenaphthylen-5-yl)ethanone.
What is the SMILES notation for 1-(6-hydroxy-1,2-dihydroacenaphthylen-5-yl)ethanone?
The canonical SMILES for 1-(6-hydroxy-1,2-dihydroacenaphthylen-5-yl)ethanone is CC(=O)c1ccc2c3c(ccc(O)c13)CC2.
What is the InChIKey of 1-(6-hydroxy-1,2-dihydroacenaphthylen-5-yl)ethanone?
The InChIKey is WKQXQXDJRLCOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2/c1-8(15)11-6-4-9-2-3-10-5-7-12(16)14(11)13(9)10/h4-7,16H,2-3H2,1H3.
What are the key properties of 1-(6-hydroxy-1,2-dihydroacenaphthylen-5-yl)ethanone?
1-(6-hydroxy-1,2-dihydroacenaphthylen-5-yl)ethanone has a molecular weight of 212.25 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-hydroxy-1,2-dihydroacenaphthylen-5-yl)ethanone is sourced from PubChem (CID 749958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).