8-hydroxy-5,5,7-trimethyl-3-phenyl-3,4-dihydro-2H-naphthalene-1,6-dione

C19H20O3 — CID 91750252

IUPAC8-hydroxy-5,5,7-trimethyl-3-phenyl-3,4-dihydro-2H-naphthalene-1,6-dione
SMILESCC1=C(O)C2=C(CC(c3ccccc3)CC2=O)C(C)(C)C1=O
InChIInChI=1S/C19H20O3/c1-11-17(21)16-14(19(2,3)18(11)22)9-13(10-15(16)20)12-7-5-4-6-8-12/h4-8,13,21H,9-10H2,1-3H3
InChIKeyXWOZBPADMFCFKZ-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.87
Rot. Bonds1

About 8-hydroxy-5,5,7-trimethyl-3-phenyl-3,4-dihydro-2H-naphthalene-1,6-dione

8-hydroxy-5,5,7-trimethyl-3-phenyl-3,4-dihydro-2H-naphthalene-1,6-dione (PubChem CID 91750252) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 8-hydroxy-5,5,7-trimethyl-3-phenyl-3,4-dihydro-2H-naphthalene-1,6-dione.

Molecular Properties

Compound Name8-hydroxy-5,5,7-trimethyl-3-phenyl-3,4-dihydro-2H-naphthalene-1,6-dione
PubChem CID91750252
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Name8-hydroxy-5,5,7-trimethyl-3-phenyl-3,4-dihydro-2H-naphthalene-1,6-dione
SMILESCC1=C(O)C2=C(CC(c3ccccc3)CC2=O)C(C)(C)C1=O
InChIInChI=1S/C19H20O3/c1-11-17(21)16-14(19(2,3)18(11)22)9-13(10-15(16)20)12-7-5-4-6-8-12/h4-8,13,21H,9-10H2,1-3H3
InChIKeyXWOZBPADMFCFKZ-UHFFFAOYSA-N
XLogP3.87
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Cyclohexene-1,3-dione, 5-hydroxy-2,2,6,6-tetramethyl-4-(1-oxo-3-phenylpropyl)-
CID 3014646
Mls002638215
CID 223673
3-Hydroxy-2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-phenylmethyl]-5,5-dimethylcyclohex-2-en-1-one
CID 5172137
3-Hydroxy-5-phenylcyclohex-2-en-1-one
CID 3258759
4-Hydroxy-3-(1-phenylpropyl)-5,6,7,8-tetrahydrochromen-2-one
CID 54691083
2,2'-(1-Phenylprop-1-yne-3,3-diyl)bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one)
CID 1206127
(4S,6S)-4,6-dimethyl-6-(3-methylphenyl)cyclohexene-1-carboxylic acid
CID 127025445
(4S,6S)-4,6-dimethyl-6-(3-phenylphenyl)cyclohexene-1-carboxylic acid
CID 127025447
(4S,6S)-6-(3,5-dimethylphenyl)-4,6-dimethylcyclohexene-1-carboxylic acid
CID 127027624
5-(Hydroxy-phenyl-methyl)-4a-methyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one
CID 22605977
mahureone A
CID 54687893
3,5-Dihydroxy-2-(3-(4-trifluoromethylphenyl)propanoyl)-4,6,6-triisopentylcyclohexa-2,4-dienone
CID 66691431

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-5,5,7-trimethyl-3-phenyl-3,4-dihydro-2H-naphthalene-1,6-dione?
The IUPAC name of 8-hydroxy-5,5,7-trimethyl-3-phenyl-3,4-dihydro-2H-naphthalene-1,6-dione (CID 91750252) is 8-hydroxy-5,5,7-trimethyl-3-phenyl-3,4-dihydro-2H-naphthalene-1,6-dione.
What is the SMILES notation for 8-hydroxy-5,5,7-trimethyl-3-phenyl-3,4-dihydro-2H-naphthalene-1,6-dione?
The canonical SMILES for 8-hydroxy-5,5,7-trimethyl-3-phenyl-3,4-dihydro-2H-naphthalene-1,6-dione is CC1=C(O)C2=C(CC(c3ccccc3)CC2=O)C(C)(C)C1=O.
What is the InChIKey of 8-hydroxy-5,5,7-trimethyl-3-phenyl-3,4-dihydro-2H-naphthalene-1,6-dione?
The InChIKey is XWOZBPADMFCFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O3/c1-11-17(21)16-14(19(2,3)18(11)22)9-13(10-15(16)20)12-7-5-4-6-8-12/h4-8,13,21H,9-10H2,1-3H3.
What are the key properties of 8-hydroxy-5,5,7-trimethyl-3-phenyl-3,4-dihydro-2H-naphthalene-1,6-dione?
8-hydroxy-5,5,7-trimethyl-3-phenyl-3,4-dihydro-2H-naphthalene-1,6-dione has a molecular weight of 296.37 g/mol, XLogP of 3.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-5,5,7-trimethyl-3-phenyl-3,4-dihydro-2H-naphthalene-1,6-dione is sourced from PubChem (CID 91750252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).