5-phenyl-3,4-dihydro-2H-anthracen-1-one

C20H16O — CID 174638646

IUPAC5-phenyl-3,4-dihydro-2H-anthracen-1-one
SMILESO=C1CCCc2cc3c(-c4ccccc4)cccc3cc21
InChIInChI=1S/C20H16O/c21-20-11-5-9-16-12-18-15(13-19(16)20)8-4-10-17(18)14-6-2-1-3-7-14/h1-4,6-8,10,12-13H,5,9,11H2
InChIKeyBFQMEVBWOUZCOK-UHFFFAOYSA-N
MW272.35 g/mol
LogP5.03
Rot. Bonds1

About 5-phenyl-3,4-dihydro-2H-anthracen-1-one

5-phenyl-3,4-dihydro-2H-anthracen-1-one (PubChem CID 174638646) has the molecular formula C20H16O and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-phenyl-3,4-dihydro-2H-anthracen-1-one.

Molecular Properties

Compound Name5-phenyl-3,4-dihydro-2H-anthracen-1-one
PubChem CID174638646
Molecular FormulaC20H16O
Molecular Weight272.35 g/mol
Exact Mass272.12
IUPAC Name5-phenyl-3,4-dihydro-2H-anthracen-1-one
SMILESO=C1CCCc2cc3c(-c4ccccc4)cccc3cc21
InChIInChI=1S/C20H16O/c21-20-11-5-9-16-12-18-15(13-19(16)20)8-4-10-17(18)14-6-2-1-3-7-14/h1-4,6-8,10,12-13H,5,9,11H2
InChIKeyBFQMEVBWOUZCOK-UHFFFAOYSA-N
XLogP5.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.35
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6,7-diphenyl-3,4-dihydro-2H-naphthalen-1-one
CID 102006717
5-tert-butyl-3,4-dihydro-2H-anthracen-1-one
CID 174650762
6-ethyl-10,11-dihydro-9H-benzo[a]anthracen-8-one
CID 125464395
hydron;1-phenylanthracene
CID 174351162
5-phenylnaphthalene-2,3-diol
CID 21407140
5-phenylnaphthalene-2,3-diamine
CID 70378591
7-fluoro-6-(2-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-one
CID 19036879
benzene;cyclohexane;cyclohexanone;cyclopentane;cyclopentanone;2,3-dihydro-1H-indene;2,3-dihydroinden-1-one;3,4-dihydro-2H-naphthalen-1-one;naphthalene;1,2,3,4-tetrahydronaphthalene
CID 159746722
6-[9-(5-hydroxynaphthalen-2-yl)fluoren-9-yl]-3,4-dihydro-2H-naphthalen-1-one
CID 123261950
1-(2-phenylphenyl)anthracene
CID 21435778
7-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-3,4-dihydro-2H-naphthalen-1-one
CID 4520936
5-phenylspiro[2,3-dihydroanthracene-4,5'-bicyclo[2.2.1]hept-1-ene]-1-one
CID 67993942

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3,4-dihydro-2H-anthracen-1-one?
The IUPAC name of 5-phenyl-3,4-dihydro-2H-anthracen-1-one (CID 174638646) is 5-phenyl-3,4-dihydro-2H-anthracen-1-one.
What is the SMILES notation for 5-phenyl-3,4-dihydro-2H-anthracen-1-one?
The canonical SMILES for 5-phenyl-3,4-dihydro-2H-anthracen-1-one is O=C1CCCc2cc3c(-c4ccccc4)cccc3cc21.
What is the InChIKey of 5-phenyl-3,4-dihydro-2H-anthracen-1-one?
The InChIKey is BFQMEVBWOUZCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O/c21-20-11-5-9-16-12-18-15(13-19(16)20)8-4-10-17(18)14-6-2-1-3-7-14/h1-4,6-8,10,12-13H,5,9,11H2.
What are the key properties of 5-phenyl-3,4-dihydro-2H-anthracen-1-one?
5-phenyl-3,4-dihydro-2H-anthracen-1-one has a molecular weight of 272.35 g/mol, XLogP of 5.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3,4-dihydro-2H-anthracen-1-one is sourced from PubChem (CID 174638646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).