(3R)-3-ethenyl-1,6-diphenylhexan-1-one

C20H22O — CID 134956601

IUPAC(3R)-3-ethenyl-1,6-diphenylhexan-1-one
SMILESC=C[C@H](CCCc1ccccc1)CC(=O)c1ccccc1
InChIInChI=1S/C20H22O/c1-2-17(12-9-13-18-10-5-3-6-11-18)16-20(21)19-14-7-4-8-15-19/h2-8,10-11,14-15,17H,1,9,12-13,16H2/t17-/m1/s1
InChIKeyLXCSOJFLMCCXAB-QGZVFWFLSA-N
MW278.40 g/mol
LogP5.08
Rot. Bonds8

About (3R)-3-ethenyl-1,6-diphenylhexan-1-one

(3R)-3-ethenyl-1,6-diphenylhexan-1-one (PubChem CID 134956601) has the molecular formula C20H22O and a molecular weight of 278.40 g/mol. Its IUPAC name is (3R)-3-ethenyl-1,6-diphenylhexan-1-one.

Molecular Properties

Compound Name(3R)-3-ethenyl-1,6-diphenylhexan-1-one
PubChem CID134956601
Molecular FormulaC20H22O
Molecular Weight278.40 g/mol
Exact Mass278.17
IUPAC Name(3R)-3-ethenyl-1,6-diphenylhexan-1-one
SMILESC=C[C@H](CCCc1ccccc1)CC(=O)c1ccccc1
InChIInChI=1S/C20H22O/c1-2-17(12-9-13-18-10-5-3-6-11-18)16-20(21)19-14-7-4-8-15-19/h2-8,10-11,14-15,17H,1,9,12-13,16H2/t17-/m1/s1
InChIKeyLXCSOJFLMCCXAB-QGZVFWFLSA-N
XLogP5.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.40
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-benzylpent-4-enoic acid
CID 124641906
(3R)-3-(2-phenylethyl)-N,N-di(propan-2-yl)pent-4-enamide
CID 162405396
2-[2-[4-(4-bromophenyl)phenyl]-2-oxoethyl]-5-phenylpentanoic acid
CID 15859124
(3R,5R)-8-phenyloct-1-ene-3,5-diol
CID 118075336
3-phenacyl-1,5-diphenylpentane-1,5-dione
CID 10547136
1-(4-benzylphenyl)-1,1-difluoro-4-(2-phenylethyl)hex-5-en-2-one
CID 10046817
N-[(2R)-1-oxo-5-phenylpentan-2-yl]benzamide
CID 57228537
methyl 2-[2-(4-bromophenyl)-2-oxoethyl]-5-phenylpentanoate
CID 54453895
3-hydroxy-6-phenylhexanethioic S-acid
CID 87597942
2,2-dideuterio-1,3-diphenylpropan-1-one
CID 23727371
(4R)-4-(2-phenylmethoxyethyl)hex-5-en-2-one
CID 134968478
(2S)-2,5-diphenylpentanoic acid
CID 7054365

Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethenyl-1,6-diphenylhexan-1-one?
The IUPAC name of (3R)-3-ethenyl-1,6-diphenylhexan-1-one (CID 134956601) is (3R)-3-ethenyl-1,6-diphenylhexan-1-one.
What is the SMILES notation for (3R)-3-ethenyl-1,6-diphenylhexan-1-one?
The canonical SMILES for (3R)-3-ethenyl-1,6-diphenylhexan-1-one is C=C[C@H](CCCc1ccccc1)CC(=O)c1ccccc1.
What is the InChIKey of (3R)-3-ethenyl-1,6-diphenylhexan-1-one?
The InChIKey is LXCSOJFLMCCXAB-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H22O/c1-2-17(12-9-13-18-10-5-3-6-11-18)16-20(21)19-14-7-4-8-15-19/h2-8,10-11,14-15,17H,1,9,12-13,16H2/t17-/m1/s1.
What are the key properties of (3R)-3-ethenyl-1,6-diphenylhexan-1-one?
(3R)-3-ethenyl-1,6-diphenylhexan-1-one has a molecular weight of 278.40 g/mol, XLogP of 5.08, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethenyl-1,6-diphenylhexan-1-one is sourced from PubChem (CID 134956601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).