6-acetyl-3,4-dihydro-2H-naphthalen-1-one

C12H12O2 — CID 54156435

IUPAC6-acetyl-3,4-dihydro-2H-naphthalen-1-one
SMILESCC(=O)c1ccc2c(c1)CCCC2=O
InChIInChI=1S/C12H12O2/c1-8(13)9-5-6-11-10(7-9)3-2-4-12(11)14/h5-7H,2-4H2,1H3
InChIKeyOLJUFVIMCPZSQW-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.41
Rot. Bonds1

About 6-acetyl-3,4-dihydro-2H-naphthalen-1-one

6-acetyl-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 54156435) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 6-acetyl-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-acetyl-3,4-dihydro-2H-naphthalen-1-one
PubChem CID54156435
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name6-acetyl-3,4-dihydro-2H-naphthalen-1-one
SMILESCC(=O)c1ccc2c(c1)CCCC2=O
InChIInChI=1S/C12H12O2/c1-8(13)9-5-6-11-10(7-9)3-2-4-12(11)14/h5-7H,2-4H2,1H3
InChIKeyOLJUFVIMCPZSQW-UHFFFAOYSA-N
XLogP2.41
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-acetyl-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 6-acetyl-3,4-dihydro-2H-naphthalen-1-one (CID 54156435) is 6-acetyl-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-acetyl-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 6-acetyl-3,4-dihydro-2H-naphthalen-1-one is CC(=O)c1ccc2c(c1)CCCC2=O.
What is the InChIKey of 6-acetyl-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is OLJUFVIMCPZSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2/c1-8(13)9-5-6-11-10(7-9)3-2-4-12(11)14/h5-7H,2-4H2,1H3.
What are the key properties of 6-acetyl-3,4-dihydro-2H-naphthalen-1-one?
6-acetyl-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 188.23 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 54156435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).