4-hydroxy-5-[(4-phenylphenyl)methyl]cyclohexa-3,5-diene-1,2-dione

C19H14O3 — CID 51041684

IUPAC4-hydroxy-5-[(4-phenylphenyl)methyl]cyclohexa-3,5-diene-1,2-dione
SMILESO=C1C=C(O)C(Cc2ccc(-c3ccccc3)cc2)=CC1=O
InChIInChI=1S/C19H14O3/c20-17-12-19(22)18(21)11-16(17)10-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,11-12,20H,10H2
InChIKeyZJUIWQRYDIDLJI-UHFFFAOYSA-N
MW290.32 g/mol
LogP3.42
Rot. Bonds3

About 4-hydroxy-5-[(4-phenylphenyl)methyl]cyclohexa-3,5-diene-1,2-dione

4-hydroxy-5-[(4-phenylphenyl)methyl]cyclohexa-3,5-diene-1,2-dione (PubChem CID 51041684) has the molecular formula C19H14O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 4-hydroxy-5-[(4-phenylphenyl)methyl]cyclohexa-3,5-diene-1,2-dione.

Molecular Properties

Compound Name4-hydroxy-5-[(4-phenylphenyl)methyl]cyclohexa-3,5-diene-1,2-dione
PubChem CID51041684
Molecular FormulaC19H14O3
Molecular Weight290.32 g/mol
Exact Mass290.09
IUPAC Name4-hydroxy-5-[(4-phenylphenyl)methyl]cyclohexa-3,5-diene-1,2-dione
SMILESO=C1C=C(O)C(Cc2ccc(-c3ccccc3)cc2)=CC1=O
InChIInChI=1S/C19H14O3/c20-17-12-19(22)18(21)11-16(17)10-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,11-12,20H,10H2
InChIKeyZJUIWQRYDIDLJI-UHFFFAOYSA-N
XLogP3.42
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'chinone_2', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

6-[(4-phenylphenyl)methyl]quinazoline-5,8-dione
CID 157499085
1,4-bis(4-benzylphenyl)benzene
CID 58251041
[4-[(4-phenylphenyl)methyl]phenyl]methanol
CID 141147437
3-bromo-4-(4-phenylphenyl)butan-2-one
CID 62393399
4-hydroxy-6-methyl-3-[(4-phenylphenyl)methyl]pyran-2-one
CID 151649957
ethane;3-(4-phenylphenyl)propanoic acid
CID 91257280
3-hydroxy-5-oxo-2-phenylcyclopenta-1,3-dien-1-olate
CID 134099844
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364
2-[(4-phenylphenyl)methyl]benzoate
CID 2290992
(3S)-3-(methylamino)-4-(4-phenylphenyl)butan-2-one
CID 59048252
4-[[4-(4-hydroxyphenyl)phenyl]methyl]phenol
CID 58720488
4-[[4-hydroxy-3-(4-phenylphenyl)phenyl]methyl]-2-(4-phenylphenyl)phenol
CID 121386312

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-[(4-phenylphenyl)methyl]cyclohexa-3,5-diene-1,2-dione?
The IUPAC name of 4-hydroxy-5-[(4-phenylphenyl)methyl]cyclohexa-3,5-diene-1,2-dione (CID 51041684) is 4-hydroxy-5-[(4-phenylphenyl)methyl]cyclohexa-3,5-diene-1,2-dione.
What is the SMILES notation for 4-hydroxy-5-[(4-phenylphenyl)methyl]cyclohexa-3,5-diene-1,2-dione?
The canonical SMILES for 4-hydroxy-5-[(4-phenylphenyl)methyl]cyclohexa-3,5-diene-1,2-dione is O=C1C=C(O)C(Cc2ccc(-c3ccccc3)cc2)=CC1=O.
What is the InChIKey of 4-hydroxy-5-[(4-phenylphenyl)methyl]cyclohexa-3,5-diene-1,2-dione?
The InChIKey is ZJUIWQRYDIDLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O3/c20-17-12-19(22)18(21)11-16(17)10-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,11-12,20H,10H2.
What are the key properties of 4-hydroxy-5-[(4-phenylphenyl)methyl]cyclohexa-3,5-diene-1,2-dione?
4-hydroxy-5-[(4-phenylphenyl)methyl]cyclohexa-3,5-diene-1,2-dione has a molecular weight of 290.32 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-[(4-phenylphenyl)methyl]cyclohexa-3,5-diene-1,2-dione is sourced from PubChem (CID 51041684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).