2-(2-oxocyclobutyl)-3,4-dihydro-2H-naphthalen-1-one

C14H14O2 — CID 13419689

IUPAC2-(2-oxocyclobutyl)-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCC1C1CCc2ccccc2C1=O
InChIInChI=1S/C14H14O2/c15-13-8-7-11(13)12-6-5-9-3-1-2-4-10(9)14(12)16/h1-4,11-12H,5-8H2
InChIKeyBFTFFHGSCYGMML-UHFFFAOYSA-N
MW214.26 g/mol
LogP2.41
Rot. Bonds1

About 2-(2-oxocyclobutyl)-3,4-dihydro-2H-naphthalen-1-one

2-(2-oxocyclobutyl)-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 13419689) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-(2-oxocyclobutyl)-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name2-(2-oxocyclobutyl)-3,4-dihydro-2H-naphthalen-1-one
PubChem CID13419689
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name2-(2-oxocyclobutyl)-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCC1C1CCc2ccccc2C1=O
InChIInChI=1S/C14H14O2/c15-13-8-7-11(13)12-6-5-9-3-1-2-4-10(9)14(12)16/h1-4,11-12H,5-8H2
InChIKeyBFTFFHGSCYGMML-UHFFFAOYSA-N
XLogP2.41
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2-oxocyclobutyl)-3,4-dihydro-2H-naphthalen-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)cyclohexane-1,3-dione
CID 163897709
(3R,8S)-tricyclo[9.4.0.03,8]pentadeca-1(15),11,13-trien-2-one
CID 169445455
4,4a,9,9a-tetrahydro-3H-anthracene-1,2,10-trione
CID 123667942
(2R)-1-oxo-3,4-dihydro-2H-naphthalene-2-carbaldehyde
CID 98051177
2-(cyclopropylmethyl)-3,4-dihydro-2H-naphthalen-1-one
CID 79429212
6-(2-hydroxycyclopentyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 79428260
2-[(1S)-1-hydroxyethyl]-3,4-dihydro-2H-naphthalen-1-one
CID 100977502
2-propyl-3,4-dihydro-2H-naphthalen-1-one
CID 10877906
(2S)-2-(2-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-one
CID 125478212
(2R)-2-(2-methylpropyl)-3,4-dihydro-2H-naphthalen-1-one
CID 14921451
(2S)-2-(2-chlorophenyl)-3,4-dihydro-2H-naphthalen-1-one
CID 129404838
2-(propan-2-ylamino)-3,4-dihydro-2H-naphthalen-1-one
CID 84620035

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxocyclobutyl)-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 2-(2-oxocyclobutyl)-3,4-dihydro-2H-naphthalen-1-one (CID 13419689) is 2-(2-oxocyclobutyl)-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 2-(2-oxocyclobutyl)-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 2-(2-oxocyclobutyl)-3,4-dihydro-2H-naphthalen-1-one is O=C1CCC1C1CCc2ccccc2C1=O.
What is the InChIKey of 2-(2-oxocyclobutyl)-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is BFTFFHGSCYGMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2/c15-13-8-7-11(13)12-6-5-9-3-1-2-4-10(9)14(12)16/h1-4,11-12H,5-8H2.
What are the key properties of 2-(2-oxocyclobutyl)-3,4-dihydro-2H-naphthalen-1-one?
2-(2-oxocyclobutyl)-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 214.26 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 2-(2-oxocyclobutyl)-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 13419689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).