5-benzyl-2-methyl-6-phenylhex-5-en-3-one

C20H22O — CID 76748644

IUPAC5-benzyl-2-methyl-6-phenylhex-5-en-3-one
SMILESCC(C)C(=O)CC(=Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H22O/c1-16(2)20(21)15-19(13-17-9-5-3-6-10-17)14-18-11-7-4-8-12-18/h3-13,16H,14-15H2,1-2H3
InChIKeyLELQGIGKNUCPRP-UHFFFAOYSA-N
MW278.40 g/mol
LogP4.93
Rot. Bonds6

About 5-benzyl-2-methyl-6-phenylhex-5-en-3-one

5-benzyl-2-methyl-6-phenylhex-5-en-3-one (PubChem CID 76748644) has the molecular formula C20H22O and a molecular weight of 278.40 g/mol. Its IUPAC name is 5-benzyl-2-methyl-6-phenylhex-5-en-3-one.

Molecular Properties

Compound Name5-benzyl-2-methyl-6-phenylhex-5-en-3-one
PubChem CID76748644
Molecular FormulaC20H22O
Molecular Weight278.40 g/mol
Exact Mass278.17
IUPAC Name5-benzyl-2-methyl-6-phenylhex-5-en-3-one
SMILESCC(C)C(=O)CC(=Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H22O/c1-16(2)20(21)15-19(13-17-9-5-3-6-10-17)14-18-11-7-4-8-12-18/h3-13,16H,14-15H2,1-2H3
InChIKeyLELQGIGKNUCPRP-UHFFFAOYSA-N
XLogP4.93
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-methyl-4-oxo-1-phenylhex-1-en-2-yl)benzonitrile
CID 57321447
(2-methyl-3-phenylprop-1-enyl)benzene
CID 15841501
3-benzylpent-3-enoic acid;ethane
CID 90707925
3-(methylamino)-1-phenylbutan-2-one
CID 116564854
[(1Z)-2,4-dibenzyl-5-phenylpenta-1,3-dienyl]benzene
CID 16638609
1-(2-benzyl-3-phenylprop-1-enyl)-4-methylsulfanylbenzene
CID 141388194
[4-(2-benzyl-3-phenylprop-1-enyl)phenyl]methanamine
CID 126569736
(3-oxo-4-phenylbutan-2-yl)carbamic acid
CID 67239937
2-benzylidene-3-methyl-4-phenylbutanoic acid
CID 175213600
4-[(E)-2-benzyl-3-(4-methoxyphenyl)prop-2-enyl]phenol
CID 46867451
(Z)-4-hydroxy-5-methyl-1-phenylhex-3-en-2-one
CID 5376399
(2E)-2-benzylidene-3-methylbutanamide
CID 20836396

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-methyl-6-phenylhex-5-en-3-one?
The IUPAC name of 5-benzyl-2-methyl-6-phenylhex-5-en-3-one (CID 76748644) is 5-benzyl-2-methyl-6-phenylhex-5-en-3-one.
What is the SMILES notation for 5-benzyl-2-methyl-6-phenylhex-5-en-3-one?
The canonical SMILES for 5-benzyl-2-methyl-6-phenylhex-5-en-3-one is CC(C)C(=O)CC(=Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 5-benzyl-2-methyl-6-phenylhex-5-en-3-one?
The InChIKey is LELQGIGKNUCPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O/c1-16(2)20(21)15-19(13-17-9-5-3-6-10-17)14-18-11-7-4-8-12-18/h3-13,16H,14-15H2,1-2H3.
What are the key properties of 5-benzyl-2-methyl-6-phenylhex-5-en-3-one?
5-benzyl-2-methyl-6-phenylhex-5-en-3-one has a molecular weight of 278.40 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-methyl-6-phenylhex-5-en-3-one is sourced from PubChem (CID 76748644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).