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

C12H12O2 — CID 54195655

IUPAC7-acetyl-3,4-dihydro-2H-naphthalen-1-one
SMILESCC(=O)c1ccc2c(c1)C(=O)CCC2
InChIInChI=1S/C12H12O2/c1-8(13)10-6-5-9-3-2-4-12(14)11(9)7-10/h5-7H,2-4H2,1H3
InChIKeyPLPNYENRAVFTSF-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.41
Rot. Bonds1

About 7-acetyl-3,4-dihydro-2H-naphthalen-1-one

7-acetyl-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 54195655) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 7-acetyl-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name7-acetyl-3,4-dihydro-2H-naphthalen-1-one
PubChem CID54195655
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name7-acetyl-3,4-dihydro-2H-naphthalen-1-one
SMILESCC(=O)c1ccc2c(c1)C(=O)CCC2
InChIInChI=1S/C12H12O2/c1-8(13)10-6-5-9-3-2-4-12(14)11(9)7-10/h5-7H,2-4H2,1H3
InChIKeyPLPNYENRAVFTSF-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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Related Compounds

6-acetyl-3,4-dihydro-2H-naphthalen-1-one
CID 54156435
ethane;7-hydroxy-3,4-dihydro-2H-naphthalen-1-one
CID 54451343
ethane;1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 123573357
7-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-3,4-dihydro-2H-naphthalen-1-one
CID 4520936
7-trimethylstannyl-3,4-dihydro-2H-naphthalen-1-one
CID 15224570
7-[(5-acetyl-2-bromophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one;1-[4-bromo-3-(bromomethyl)phenyl]ethanone;7-hydroxy-3,4-dihydro-2H-naphthalen-1-one;methane
CID 161254568
6-acetyl-7-bromo-3,4-dihydro-2H-naphthalen-1-one
CID 118423588
ethane;2-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)acetic acid
CID 143844110
3-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)prop-2-enoic acid
CID 169460890
2-(methylamino)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)acetamide
CID 119781803
(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)boronic acid
CID 59438354
14-acetyl-2-oxotricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-6-carboxylic acid
CID 12563000

Frequently Asked Questions

What is the IUPAC name of 7-acetyl-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 7-acetyl-3,4-dihydro-2H-naphthalen-1-one (CID 54195655) is 7-acetyl-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 7-acetyl-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 7-acetyl-3,4-dihydro-2H-naphthalen-1-one is CC(=O)c1ccc2c(c1)C(=O)CCC2.
What is the InChIKey of 7-acetyl-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is PLPNYENRAVFTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2/c1-8(13)10-6-5-9-3-2-4-12(14)11(9)7-10/h5-7H,2-4H2,1H3.
What are the key properties of 7-acetyl-3,4-dihydro-2H-naphthalen-1-one?
7-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 7-acetyl-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 54195655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).