(E)-3-hydroxy-3,5-diphenyl-1-(2,4,6-trimethylphenyl)pent-4-en-1-one

C26H26O2 — CID 13425598

IUPAC(E)-3-hydroxy-3,5-diphenyl-1-(2,4,6-trimethylphenyl)pent-4-en-1-one
SMILESCc1cc(C)c(C(=O)CC(O)(/C=C/c2ccccc2)c2ccccc2)c(C)c1
InChIInChI=1S/C26H26O2/c1-19-16-20(2)25(21(3)17-19)24(27)18-26(28,23-12-8-5-9-13-23)15-14-22-10-6-4-7-11-22/h4-17,28H,18H2,1-3H3/b15-14+
InChIKeyIUMDQYBHRGEANI-CCEZHUSRSA-N
MW370.49 g/mol
LogP5.79
Rot. Bonds6

About (E)-3-hydroxy-3,5-diphenyl-1-(2,4,6-trimethylphenyl)pent-4-en-1-one

(E)-3-hydroxy-3,5-diphenyl-1-(2,4,6-trimethylphenyl)pent-4-en-1-one (PubChem CID 13425598) has the molecular formula C26H26O2 and a molecular weight of 370.49 g/mol. Its IUPAC name is (E)-3-hydroxy-3,5-diphenyl-1-(2,4,6-trimethylphenyl)pent-4-en-1-one.

Molecular Properties

Compound Name(E)-3-hydroxy-3,5-diphenyl-1-(2,4,6-trimethylphenyl)pent-4-en-1-one
PubChem CID13425598
Molecular FormulaC26H26O2
Molecular Weight370.49 g/mol
Exact Mass370.19
IUPAC Name(E)-3-hydroxy-3,5-diphenyl-1-(2,4,6-trimethylphenyl)pent-4-en-1-one
SMILESCc1cc(C)c(C(=O)CC(O)(/C=C/c2ccccc2)c2ccccc2)c(C)c1
InChIInChI=1S/C26H26O2/c1-19-16-20(2)25(21(3)17-19)24(27)18-26(28,23-12-8-5-9-13-23)15-14-22-10-6-4-7-11-22/h4-17,28H,18H2,1-3H3/b15-14+
InChIKeyIUMDQYBHRGEANI-CCEZHUSRSA-N
XLogP5.79
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.49
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E,2S)-1-(3-methyl-1,2-oxazol-5-yl)-2,4-diphenylbut-3-en-2-ol
CID 852777
ethyl 3-hydroxy-3-phenylhex-4-enoate
CID 66650446
(E)-1-dimethylphosphoryl-1,3-diphenylprop-2-en-1-ol
CID 13196807
ethyl 3-hydroxy-3-methyl-5-phenylpent-4-enoate
CID 66650377
(Z)-1,1,3-triphenylprop-2-en-1-ol
CID 92856099
diethyl 2-methyl-2-[3-(2-phenylethenyl)phenyl]propanedioate
CID 71380723
(Z)-3-methyl-1-phenylpent-1-en-3-ol
CID 20841410
benzoic acid;1,3-dimethyl-5-(2-phenylethenyl)benzene
CID 174874153
(E)-3-deuterio-3-phenyl-1-(2,4,6-trimethylphenyl)prop-2-en-1-one
CID 135060925
2,2-diphenyl-2-[(2,4,6-trimethylbenzoyl)amino]acetic acid
CID 12959116
diethyl 2-phenyl-2-[(Z)-3-phenylprop-2-enyl]propanedioate
CID 134872871
2-prop-2-enoxy-1-(2,4,6-trimethylphenyl)ethanone
CID 62029854

Frequently Asked Questions

What is the IUPAC name of (E)-3-hydroxy-3,5-diphenyl-1-(2,4,6-trimethylphenyl)pent-4-en-1-one?
The IUPAC name of (E)-3-hydroxy-3,5-diphenyl-1-(2,4,6-trimethylphenyl)pent-4-en-1-one (CID 13425598) is (E)-3-hydroxy-3,5-diphenyl-1-(2,4,6-trimethylphenyl)pent-4-en-1-one.
What is the SMILES notation for (E)-3-hydroxy-3,5-diphenyl-1-(2,4,6-trimethylphenyl)pent-4-en-1-one?
The canonical SMILES for (E)-3-hydroxy-3,5-diphenyl-1-(2,4,6-trimethylphenyl)pent-4-en-1-one is Cc1cc(C)c(C(=O)CC(O)(/C=C/c2ccccc2)c2ccccc2)c(C)c1.
What is the InChIKey of (E)-3-hydroxy-3,5-diphenyl-1-(2,4,6-trimethylphenyl)pent-4-en-1-one?
The InChIKey is IUMDQYBHRGEANI-CCEZHUSRSA-N. The full InChI is InChI=1S/C26H26O2/c1-19-16-20(2)25(21(3)17-19)24(27)18-26(28,23-12-8-5-9-13-23)15-14-22-10-6-4-7-11-22/h4-17,28H,18H2,1-3H3/b15-14+.
What are the key properties of (E)-3-hydroxy-3,5-diphenyl-1-(2,4,6-trimethylphenyl)pent-4-en-1-one?
(E)-3-hydroxy-3,5-diphenyl-1-(2,4,6-trimethylphenyl)pent-4-en-1-one has a molecular weight of 370.49 g/mol, XLogP of 5.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-hydroxy-3,5-diphenyl-1-(2,4,6-trimethylphenyl)pent-4-en-1-one is sourced from PubChem (CID 13425598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).