6,7-diphenyl-3,4-dihydro-2H-naphthalen-1-one

C22H18O — CID 102006717

IUPAC6,7-diphenyl-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2cc(-c3ccccc3)c(-c3ccccc3)cc21
InChIInChI=1S/C22H18O/c23-22-13-7-12-18-14-19(16-8-3-1-4-9-16)20(15-21(18)22)17-10-5-2-6-11-17/h1-6,8-11,14-15H,7,12-13H2
InChIKeyMGQLEQPKFNIYQF-UHFFFAOYSA-N
MW298.38 g/mol
LogP5.54
Rot. Bonds2

About 6,7-diphenyl-3,4-dihydro-2H-naphthalen-1-one

6,7-diphenyl-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 102006717) has the molecular formula C22H18O and a molecular weight of 298.38 g/mol. Its IUPAC name is 6,7-diphenyl-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6,7-diphenyl-3,4-dihydro-2H-naphthalen-1-one
PubChem CID102006717
Molecular FormulaC22H18O
Molecular Weight298.38 g/mol
Exact Mass298.14
IUPAC Name6,7-diphenyl-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2cc(-c3ccccc3)c(-c3ccccc3)cc21
InChIInChI=1S/C22H18O/c23-22-13-7-12-18-14-19(16-8-3-1-4-9-16)20(15-21(18)22)17-10-5-2-6-11-17/h1-6,8-11,14-15H,7,12-13H2
InChIKeyMGQLEQPKFNIYQF-UHFFFAOYSA-N
XLogP5.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.38
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 174638646
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CID 91171683
7-fluoro-6-(4-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-one
CID 19036893
7-fluoro-6-(2-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-one
CID 19036879
7-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-3,4-dihydro-2H-naphthalen-1-one
CID 4520936
5,13-diphenyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene
CID 163494691
2,3-bis(phenylmethoxy)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 165350338
3-phenoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 62730603
8-methoxy-7-phenyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
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2,3-diphenyl-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 14436619
2,3-diphenylcyclohex-2-en-1-one
CID 2748361
2,3-dihydro-1H-indene;3,4-dihydro-2H-naphthalen-1-one;9H-fluorene;1,2,3,4-tetrahydronaphthalene
CID 158268251

Frequently Asked Questions

What is the IUPAC name of 6,7-diphenyl-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 6,7-diphenyl-3,4-dihydro-2H-naphthalen-1-one (CID 102006717) is 6,7-diphenyl-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 6,7-diphenyl-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 6,7-diphenyl-3,4-dihydro-2H-naphthalen-1-one is O=C1CCCc2cc(-c3ccccc3)c(-c3ccccc3)cc21.
What is the InChIKey of 6,7-diphenyl-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is MGQLEQPKFNIYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O/c23-22-13-7-12-18-14-19(16-8-3-1-4-9-16)20(15-21(18)22)17-10-5-2-6-11-17/h1-6,8-11,14-15H,7,12-13H2.
What are the key properties of 6,7-diphenyl-3,4-dihydro-2H-naphthalen-1-one?
6,7-diphenyl-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 298.38 g/mol, XLogP of 5.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-diphenyl-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 102006717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).