(E)-1-(4-tert-butylphenyl)-3-phenylprop-2-en-1-one

C19H20O — CID 6156309

IUPAC(E)-1-(4-tert-butylphenyl)-3-phenylprop-2-en-1-one
SMILESCC(C)(C)c1ccc(C(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C19H20O/c1-19(2,3)17-12-10-16(11-13-17)18(20)14-9-15-7-5-4-6-8-15/h4-14H,1-3H3/b14-9+
InChIKeyGTDUCEPPMPBWKM-NTEUORMPSA-N
MW264.37 g/mol
LogP4.88
Rot. Bonds3

About (E)-1-(4-tert-butylphenyl)-3-phenylprop-2-en-1-one

(E)-1-(4-tert-butylphenyl)-3-phenylprop-2-en-1-one (PubChem CID 6156309) has the molecular formula C19H20O and a molecular weight of 264.37 g/mol. Its IUPAC name is (E)-1-(4-tert-butylphenyl)-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-tert-butylphenyl)-3-phenylprop-2-en-1-one
PubChem CID6156309
Molecular FormulaC19H20O
Molecular Weight264.37 g/mol
Exact Mass264.15
IUPAC Name(E)-1-(4-tert-butylphenyl)-3-phenylprop-2-en-1-one
SMILESCC(C)(C)c1ccc(C(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C19H20O/c1-19(2,3)17-12-10-16(11-13-17)18(20)14-9-15-7-5-4-6-8-15/h4-14H,1-3H3/b14-9+
InChIKeyGTDUCEPPMPBWKM-NTEUORMPSA-N
XLogP4.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.88
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

(E)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-en-1-one
CID 5369391
1,3-diphenylprop-2-en-1-one;ethane
CID 91274718
(E)-1-(4-tert-butylphenyl)-3-pyridin-4-ylprop-2-en-1-one
CID 11777637
(E)-1-(4-tert-butylphenyl)-3-pyridin-3-ylprop-2-en-1-one
CID 40700825
3-(3,5-ditert-butylphenyl)-1-phenylprop-2-en-1-one
CID 5154900
(E)-3-(4-tert-butylphenyl)-1-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 19557389
(E)-1-(4-tert-butylphenyl)-3-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 39440500
4-tert-butyl-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide
CID 923514
4-(3-oxo-3-phenylprop-1-enyl)benzoic acid;hydrochloride
CID 70593745
1,3-diphenylprop-2-en-1-one;1-phenylethanone
CID 174503115
1,3-diphenylprop-2-en-1-one;ethanol
CID 146424659
3-[(E)-3-(4-tert-butylphenyl)-3-oxoprop-1-enyl]benzonitrile
CID 75459966

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-tert-butylphenyl)-3-phenylprop-2-en-1-one?
The IUPAC name of (E)-1-(4-tert-butylphenyl)-3-phenylprop-2-en-1-one (CID 6156309) is (E)-1-(4-tert-butylphenyl)-3-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-1-(4-tert-butylphenyl)-3-phenylprop-2-en-1-one?
The canonical SMILES for (E)-1-(4-tert-butylphenyl)-3-phenylprop-2-en-1-one is CC(C)(C)c1ccc(C(=O)/C=C/c2ccccc2)cc1.
What is the InChIKey of (E)-1-(4-tert-butylphenyl)-3-phenylprop-2-en-1-one?
The InChIKey is GTDUCEPPMPBWKM-NTEUORMPSA-N. The full InChI is InChI=1S/C19H20O/c1-19(2,3)17-12-10-16(11-13-17)18(20)14-9-15-7-5-4-6-8-15/h4-14H,1-3H3/b14-9+.
What are the key properties of (E)-1-(4-tert-butylphenyl)-3-phenylprop-2-en-1-one?
(E)-1-(4-tert-butylphenyl)-3-phenylprop-2-en-1-one has a molecular weight of 264.37 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-tert-butylphenyl)-3-phenylprop-2-en-1-one is sourced from PubChem (CID 6156309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).