(3S)-1,3-diphenylhex-5-en-1-one

C18H18O — CID 11288162

IUPAC(3S)-1,3-diphenylhex-5-en-1-one
SMILESC=CC[C@@H](CC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18O/c1-2-9-17(15-10-5-3-6-11-15)14-18(19)16-12-7-4-8-13-16/h2-8,10-13,17H,1,9,14H2/t17-/m0/s1
InChIKeyABCONMWWENQPNG-KRWDZBQOSA-N
MW250.34 g/mol
LogP4.62
Rot. Bonds6

About (3S)-1,3-diphenylhex-5-en-1-one

(3S)-1,3-diphenylhex-5-en-1-one (PubChem CID 11288162) has the molecular formula C18H18O and a molecular weight of 250.34 g/mol. Its IUPAC name is (3S)-1,3-diphenylhex-5-en-1-one.

Molecular Properties

Compound Name(3S)-1,3-diphenylhex-5-en-1-one
PubChem CID11288162
Molecular FormulaC18H18O
Molecular Weight250.34 g/mol
Exact Mass250.14
IUPAC Name(3S)-1,3-diphenylhex-5-en-1-one
SMILESC=CC[C@@H](CC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18O/c1-2-9-17(15-10-5-3-6-11-15)14-18(19)16-12-7-4-8-13-16/h2-8,10-13,17H,1,9,14H2/t17-/m0/s1
InChIKeyABCONMWWENQPNG-KRWDZBQOSA-N
XLogP4.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 54.62
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

1,4-diphenylhept-6-en-1-one
CID 22894004
7-oxo-5,7-diphenylhept-2-enoic acid
CID 71390061
(3R)-1,3-diphenylpentan-1-one
CID 11042799
ethyl 3-phenylhex-5-enoate
CID 11481375
hepta-1,6-dien-4-ylbenzene;phthalic acid
CID 66933649
5-hydroxy-1,3,5-triphenylpentan-1-one
CID 11727250
1,3-diphenyl-3-prop-2-enylsulfanylpropan-1-one
CID 11514699
4-(6-methyl-1-oxo-1-phenylhept-5-en-3-yl)benzoic acid
CID 134948224
(3S)-3-phenylhex-5-enal
CID 11229081
3-phenyl-1,5-dipyridin-4-ylpentane-1,5-dione
CID 11290437
(3R)-3-phenylhex-5-en-1-ol
CID 10419714
(3R)-3-(4-bromophenyl)-1-phenylpentan-1-one
CID 102486648

Frequently Asked Questions

What is the IUPAC name of (3S)-1,3-diphenylhex-5-en-1-one?
The IUPAC name of (3S)-1,3-diphenylhex-5-en-1-one (CID 11288162) is (3S)-1,3-diphenylhex-5-en-1-one.
What is the SMILES notation for (3S)-1,3-diphenylhex-5-en-1-one?
The canonical SMILES for (3S)-1,3-diphenylhex-5-en-1-one is C=CC[C@@H](CC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of (3S)-1,3-diphenylhex-5-en-1-one?
The InChIKey is ABCONMWWENQPNG-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H18O/c1-2-9-17(15-10-5-3-6-11-15)14-18(19)16-12-7-4-8-13-16/h2-8,10-13,17H,1,9,14H2/t17-/m0/s1.
What are the key properties of (3S)-1,3-diphenylhex-5-en-1-one?
(3S)-1,3-diphenylhex-5-en-1-one has a molecular weight of 250.34 g/mol, XLogP of 4.62, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1,3-diphenylhex-5-en-1-one is sourced from PubChem (CID 11288162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).