4-hydroxy-2-methyl-3,4-diphenylcyclobut-2-en-1-one

C17H14O2 — CID 10444794

IUPAC4-hydroxy-2-methyl-3,4-diphenylcyclobut-2-en-1-one
SMILESCC1=C(c2ccccc2)C(O)(c2ccccc2)C1=O
InChIInChI=1S/C17H14O2/c1-12-15(13-8-4-2-5-9-13)17(19,16(12)18)14-10-6-3-7-11-14/h2-11,19H,1H3
InChIKeyNNBWALQSEUSXJB-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.93
Rot. Bonds2

About 4-hydroxy-2-methyl-3,4-diphenylcyclobut-2-en-1-one

4-hydroxy-2-methyl-3,4-diphenylcyclobut-2-en-1-one (PubChem CID 10444794) has the molecular formula C17H14O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-hydroxy-2-methyl-3,4-diphenylcyclobut-2-en-1-one.

Molecular Properties

Compound Name4-hydroxy-2-methyl-3,4-diphenylcyclobut-2-en-1-one
PubChem CID10444794
Molecular FormulaC17H14O2
Molecular Weight250.30 g/mol
Exact Mass250.10
IUPAC Name4-hydroxy-2-methyl-3,4-diphenylcyclobut-2-en-1-one
SMILESCC1=C(c2ccccc2)C(O)(c2ccccc2)C1=O
InChIInChI=1S/C17H14O2/c1-12-15(13-8-4-2-5-9-13)17(19,16(12)18)14-10-6-3-7-11-14/h2-11,19H,1H3
InChIKeyNNBWALQSEUSXJB-UHFFFAOYSA-N
XLogP2.93
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-hydroxy-3,5-dimethyl-4-phenylfuran-2-one
CID 15647321
(1S,2R,6R,7S)-1,2,4,7-tetramethyl-5,6,8,9-tetraphenyltricyclo[5.2.1.02,6]deca-4,8-diene-3,10-dione
CID 124923868
(1S,2S,6S,7S)-1,2,4,7-tetramethyl-5,6,8,9-tetraphenyltricyclo[5.2.1.02,6]deca-4,8-diene-3,10-dione
CID 99722323
(1S)-2-methyl-1,3-diphenylcycloprop-2-ene-1-carboxylic acid
CID 71418523
4-hydroxy-3-methyl-2-[(2-methylpropan-2-yl)oxy]-4-phenylcyclobut-2-en-1-one
CID 102499423
(4R,5S)-4-hydroxy-5-methyl-2,3,4-triphenylcyclopent-2-en-1-one
CID 70037236
(1S,2S,6R,7S,8S,11R)-2,4-dimethyl-5,6-diphenyltetracyclo[5.4.2.02,6.08,11]trideca-4,12-dien-3-one
CID 124837016
(1S,2R,6R,7S,8R,11R)-2,4-dimethyl-5,6-diphenyltetracyclo[5.4.2.02,6.08,11]trideca-4,12-dien-3-one
CID 100877865
4,4-dimethyl-2,3-diphenylcyclobut-2-en-1-one
CID 13382755
7-phenylbicyclo[4.1.0]hepta-1,3,5-trien-7-ol
CID 87437290
2,4,6-trimethyl-5,6-diphenylcyclohexa-2,4-diene-1-carboxylic acid
CID 129248344
2,3,4,5-tetramethyl-6,6-diphenylcyclohexa-2,4-dien-1-one
CID 627423

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methyl-3,4-diphenylcyclobut-2-en-1-one?
The IUPAC name of 4-hydroxy-2-methyl-3,4-diphenylcyclobut-2-en-1-one (CID 10444794) is 4-hydroxy-2-methyl-3,4-diphenylcyclobut-2-en-1-one.
What is the SMILES notation for 4-hydroxy-2-methyl-3,4-diphenylcyclobut-2-en-1-one?
The canonical SMILES for 4-hydroxy-2-methyl-3,4-diphenylcyclobut-2-en-1-one is CC1=C(c2ccccc2)C(O)(c2ccccc2)C1=O.
What is the InChIKey of 4-hydroxy-2-methyl-3,4-diphenylcyclobut-2-en-1-one?
The InChIKey is NNBWALQSEUSXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O2/c1-12-15(13-8-4-2-5-9-13)17(19,16(12)18)14-10-6-3-7-11-14/h2-11,19H,1H3.
What are the key properties of 4-hydroxy-2-methyl-3,4-diphenylcyclobut-2-en-1-one?
4-hydroxy-2-methyl-3,4-diphenylcyclobut-2-en-1-one has a molecular weight of 250.30 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methyl-3,4-diphenylcyclobut-2-en-1-one is sourced from PubChem (CID 10444794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).