(E)-1,1-diphenylhex-3-en-2-one

C18H18O — CID 67801120

IUPAC(E)-1,1-diphenylhex-3-en-2-one
SMILESCC/C=C/C(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18O/c1-2-3-14-17(19)18(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h3-14,18H,2H2,1H3/b14-3+
InChIKeyGVPKTQOGYJYGET-LZWSPWQCSA-N
MW250.34 g/mol
LogP4.35
Rot. Bonds5

About (E)-1,1-diphenylhex-3-en-2-one

(E)-1,1-diphenylhex-3-en-2-one (PubChem CID 67801120) has the molecular formula C18H18O and a molecular weight of 250.34 g/mol. Its IUPAC name is (E)-1,1-diphenylhex-3-en-2-one.

Molecular Properties

Compound Name(E)-1,1-diphenylhex-3-en-2-one
PubChem CID67801120
Molecular FormulaC18H18O
Molecular Weight250.34 g/mol
Exact Mass250.14
IUPAC Name(E)-1,1-diphenylhex-3-en-2-one
SMILESCC/C=C/C(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18O/c1-2-3-14-17(19)18(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h3-14,18H,2H2,1H3/b14-3+
InChIKeyGVPKTQOGYJYGET-LZWSPWQCSA-N
XLogP4.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-1-phenylpent-2-en-1-one
CID 91998885
2-benzhydrylpent-2-en-1-ol
CID 154240876
(Z)-4-methylimino-3-oxo-2-phenyloct-5-enenitrile
CID 142295560
1-hydroxy-2-phenylnon-4-en-3-one
CID 174733237
(Z,3E)-3-ethylidene-1-phenylhept-4-ene-1,2-diamine
CID 153400130
(Z)-N,N-diphenylpent-2-enamide
CID 163563011
diethyl-[(E)-3-oxo-4,4-diphenylbut-1-enyl]azanium;(Z)-4-hydroxy-4-oxobut-2-enoate
CID 6435613
2,2-diphenyl-N-[(Z)-propylideneamino]acetamide
CID 6119099
1,1,5,5-tetraphenylpentane-2,4-dione
CID 22951899
hex-3-en-2-one;styrene
CID 159171709
(E)-1-(2-propan-2-yloxyphenyl)pent-2-en-1-one
CID 103454235
oxalic acid;1-phenylpropylbenzene
CID 67824543

Frequently Asked Questions

What is the IUPAC name of (E)-1,1-diphenylhex-3-en-2-one?
The IUPAC name of (E)-1,1-diphenylhex-3-en-2-one (CID 67801120) is (E)-1,1-diphenylhex-3-en-2-one.
What is the SMILES notation for (E)-1,1-diphenylhex-3-en-2-one?
The canonical SMILES for (E)-1,1-diphenylhex-3-en-2-one is CC/C=C/C(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-1,1-diphenylhex-3-en-2-one?
The InChIKey is GVPKTQOGYJYGET-LZWSPWQCSA-N. The full InChI is InChI=1S/C18H18O/c1-2-3-14-17(19)18(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h3-14,18H,2H2,1H3/b14-3+.
What are the key properties of (E)-1,1-diphenylhex-3-en-2-one?
(E)-1,1-diphenylhex-3-en-2-one has a molecular weight of 250.34 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1-diphenylhex-3-en-2-one is sourced from PubChem (CID 67801120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).