2-hydroxy-1,2-diphenylethanone;4-hydroxy-4-(2-phenylethyl)cyclohexa-2,5-dien-1-one

C28H26O4 — CID 175014716

IUPAC2-hydroxy-1,2-diphenylethanone;4-hydroxy-4-(2-phenylethyl)cyclohexa-2,5-dien-1-one
SMILESO=C(c1ccccc1)C(O)c1ccccc1.O=C1C=CC(O)(CCc2ccccc2)C=C1
InChIInChI=1S/C14H12O2.C14H14O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;15-13-7-10-14(16,11-8-13)9-6-12-4-2-1-3-5-12/h1-10,13,15H;1-5,7-8,10-11,16H,6,9H2
InChIKeyUTXBEFYRYDTWPJ-UHFFFAOYSA-N
MW426.51 g/mol
LogP4.65
Rot. Bonds6

About 2-hydroxy-1,2-diphenylethanone;4-hydroxy-4-(2-phenylethyl)cyclohexa-2,5-dien-1-one

2-hydroxy-1,2-diphenylethanone;4-hydroxy-4-(2-phenylethyl)cyclohexa-2,5-dien-1-one (PubChem CID 175014716) has the molecular formula C28H26O4 and a molecular weight of 426.51 g/mol. Its IUPAC name is 2-hydroxy-1,2-diphenylethanone;4-hydroxy-4-(2-phenylethyl)cyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name2-hydroxy-1,2-diphenylethanone;4-hydroxy-4-(2-phenylethyl)cyclohexa-2,5-dien-1-one
PubChem CID175014716
Molecular FormulaC28H26O4
Molecular Weight426.51 g/mol
Exact Mass426.18
IUPAC Name2-hydroxy-1,2-diphenylethanone;4-hydroxy-4-(2-phenylethyl)cyclohexa-2,5-dien-1-one
SMILESO=C(c1ccccc1)C(O)c1ccccc1.O=C1C=CC(O)(CCc2ccccc2)C=C1
InChIInChI=1S/C14H12O2.C14H14O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;15-13-7-10-14(16,11-8-13)9-6-12-4-2-1-3-5-12/h1-10,13,15H;1-5,7-8,10-11,16H,6,9H2
InChIKeyUTXBEFYRYDTWPJ-UHFFFAOYSA-N
XLogP4.65
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-hydroxy-1,2-diphenylethanone;4-hydroxy-4-(2-phenylethyl)cyclohexa-2,5-dien-1-one with MolForge

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Related Compounds

2-hydroxy-1,2-diphenylethanone
CID 159399559
2-[4-(2-bromoethyl)phenyl]-2-hydroxy-1-phenylethanone
CID 86260257
formaldehyde;bis(2-hydroxy-1,2-diphenylethanone)
CID 174440021
deuterium monohydride;2-hydroxy-1,2-diphenylethanone
CID 158356694
2-hydroxy-1,2-diphenylethanone;propanoic acid
CID 159329247
2-hydroxy-1,2-diphenylethanone;silyloxysilane
CID 173133276
2-hydroxy-2-[3-(hydroxymethyl)phenyl]-1-phenylethanone
CID 70540127
2-hydroxy-1,2-diphenylethanone;1-phenylpropan-1-one
CID 174848942
ethoxymethanol;2-hydroxy-1,2-diphenylethanone
CID 69429454
2-hydroxy-1,2-diphenylethanone;2-hydroxy-2-phenyl-1-(2-propylphenyl)ethanone
CID 159551981
2-hydroxy-1,2-diphenylethanone;prop-2-enoic acid
CID 57368066
benzaldehyde;1,2-diphenylethane-1,2-diol;2-hydroxy-1,2-diphenylethanone
CID 87963505

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1,2-diphenylethanone;4-hydroxy-4-(2-phenylethyl)cyclohexa-2,5-dien-1-one?
The IUPAC name of 2-hydroxy-1,2-diphenylethanone;4-hydroxy-4-(2-phenylethyl)cyclohexa-2,5-dien-1-one (CID 175014716) is 2-hydroxy-1,2-diphenylethanone;4-hydroxy-4-(2-phenylethyl)cyclohexa-2,5-dien-1-one.
What is the SMILES notation for 2-hydroxy-1,2-diphenylethanone;4-hydroxy-4-(2-phenylethyl)cyclohexa-2,5-dien-1-one?
The canonical SMILES for 2-hydroxy-1,2-diphenylethanone;4-hydroxy-4-(2-phenylethyl)cyclohexa-2,5-dien-1-one is O=C(c1ccccc1)C(O)c1ccccc1.O=C1C=CC(O)(CCc2ccccc2)C=C1.
What is the InChIKey of 2-hydroxy-1,2-diphenylethanone;4-hydroxy-4-(2-phenylethyl)cyclohexa-2,5-dien-1-one?
The InChIKey is UTXBEFYRYDTWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2.C14H14O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;15-13-7-10-14(16,11-8-13)9-6-12-4-2-1-3-5-12/h1-10,13,15H;1-5,7-8,10-11,16H,6,9H2.
What are the key properties of 2-hydroxy-1,2-diphenylethanone;4-hydroxy-4-(2-phenylethyl)cyclohexa-2,5-dien-1-one?
2-hydroxy-1,2-diphenylethanone;4-hydroxy-4-(2-phenylethyl)cyclohexa-2,5-dien-1-one has a molecular weight of 426.51 g/mol, XLogP of 4.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1,2-diphenylethanone;4-hydroxy-4-(2-phenylethyl)cyclohexa-2,5-dien-1-one is sourced from PubChem (CID 175014716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).