1-(2-oxo-3,4-dihydro-1H-naphthalene-1-carbonyl)-3,4-dihydro-1H-naphthalen-2-one

C21H18O3 — CID 175094651

IUPAC1-(2-oxo-3,4-dihydro-1H-naphthalene-1-carbonyl)-3,4-dihydro-1H-naphthalen-2-one
SMILESO=C1CCc2ccccc2C1C(=O)C1C(=O)CCc2ccccc21
InChIInChI=1S/C21H18O3/c22-17-11-9-13-5-1-3-7-15(13)19(17)21(24)20-16-8-4-2-6-14(16)10-12-18(20)23/h1-8,19-20H,9-12H2
InChIKeyLDKHKUDSGCDPPC-UHFFFAOYSA-N
MW318.37 g/mol
LogP3.15
Rot. Bonds2

About 1-(2-oxo-3,4-dihydro-1H-naphthalene-1-carbonyl)-3,4-dihydro-1H-naphthalen-2-one

1-(2-oxo-3,4-dihydro-1H-naphthalene-1-carbonyl)-3,4-dihydro-1H-naphthalen-2-one (PubChem CID 175094651) has the molecular formula C21H18O3 and a molecular weight of 318.37 g/mol. Its IUPAC name is 1-(2-oxo-3,4-dihydro-1H-naphthalene-1-carbonyl)-3,4-dihydro-1H-naphthalen-2-one.

Molecular Properties

Compound Name1-(2-oxo-3,4-dihydro-1H-naphthalene-1-carbonyl)-3,4-dihydro-1H-naphthalen-2-one
PubChem CID175094651
Molecular FormulaC21H18O3
Molecular Weight318.37 g/mol
Exact Mass318.13
IUPAC Name1-(2-oxo-3,4-dihydro-1H-naphthalene-1-carbonyl)-3,4-dihydro-1H-naphthalen-2-one
SMILESO=C1CCc2ccccc2C1C(=O)C1C(=O)CCc2ccccc21
InChIInChI=1S/C21H18O3/c22-17-11-9-13-5-1-3-7-15(13)19(17)21(24)20-16-8-4-2-6-14(16)10-12-18(20)23/h1-8,19-20H,9-12H2
InChIKeyLDKHKUDSGCDPPC-UHFFFAOYSA-N
XLogP3.15
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylic acid
CID 12515647
methyl tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylate
CID 83985069
(1R)-1-(3-oxobutyl)-3,4-dihydro-1H-naphthalen-2-one
CID 150600443
1-nitro-3,4-dihydro-1H-naphthalen-2-one
CID 87514062
N-prop-2-ynyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxamide
CID 125494989
2-(2-oxo-3,4-dihydro-1H-naphthalen-1-yl)isoindole-1,3-dione
CID 23283664
methyl 2-oxo-1,3-dihydroindene-1-carboxylate
CID 10888732
9,10-dihydroanthracene-9-carbonyl chloride
CID 14248600
3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propanoic acid
CID 83985074
2-benzoylcyclopentane-1,3-dione
CID 15625879
cadmium;bis(2,3-dihydro-1H-indene-1-carboxylic acid)
CID 162540344
5-bromo-5,6,8,9-tetrahydrobenzo[7]annulen-7-one
CID 68625742

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxo-3,4-dihydro-1H-naphthalene-1-carbonyl)-3,4-dihydro-1H-naphthalen-2-one?
The IUPAC name of 1-(2-oxo-3,4-dihydro-1H-naphthalene-1-carbonyl)-3,4-dihydro-1H-naphthalen-2-one (CID 175094651) is 1-(2-oxo-3,4-dihydro-1H-naphthalene-1-carbonyl)-3,4-dihydro-1H-naphthalen-2-one.
What is the SMILES notation for 1-(2-oxo-3,4-dihydro-1H-naphthalene-1-carbonyl)-3,4-dihydro-1H-naphthalen-2-one?
The canonical SMILES for 1-(2-oxo-3,4-dihydro-1H-naphthalene-1-carbonyl)-3,4-dihydro-1H-naphthalen-2-one is O=C1CCc2ccccc2C1C(=O)C1C(=O)CCc2ccccc21.
What is the InChIKey of 1-(2-oxo-3,4-dihydro-1H-naphthalene-1-carbonyl)-3,4-dihydro-1H-naphthalen-2-one?
The InChIKey is LDKHKUDSGCDPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O3/c22-17-11-9-13-5-1-3-7-15(13)19(17)21(24)20-16-8-4-2-6-14(16)10-12-18(20)23/h1-8,19-20H,9-12H2.
What are the key properties of 1-(2-oxo-3,4-dihydro-1H-naphthalene-1-carbonyl)-3,4-dihydro-1H-naphthalen-2-one?
1-(2-oxo-3,4-dihydro-1H-naphthalene-1-carbonyl)-3,4-dihydro-1H-naphthalen-2-one has a molecular weight of 318.37 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxo-3,4-dihydro-1H-naphthalene-1-carbonyl)-3,4-dihydro-1H-naphthalen-2-one is sourced from PubChem (CID 175094651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).