1-tert-butyl-2-[(E)-1-methoxy-2-phenylprop-1-enyl]benzene

C20H24O — CID 11033268

IUPAC1-tert-butyl-2-[(E)-1-methoxy-2-phenylprop-1-enyl]benzene
SMILESCO/C(=C(\C)c1ccccc1)c1ccccc1C(C)(C)C
InChIInChI=1S/C20H24O/c1-15(16-11-7-6-8-12-16)19(21-5)17-13-9-10-14-18(17)20(2,3)4/h6-14H,1-5H3/b19-15+
InChIKeyZCHHFRNXUXENDU-XDJHFCHBSA-N
MW280.41 g/mol
LogP5.52
Rot. Bonds3

About 1-tert-butyl-2-[(E)-1-methoxy-2-phenylprop-1-enyl]benzene

1-tert-butyl-2-[(E)-1-methoxy-2-phenylprop-1-enyl]benzene (PubChem CID 11033268) has the molecular formula C20H24O and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-tert-butyl-2-[(E)-1-methoxy-2-phenylprop-1-enyl]benzene.

Molecular Properties

Compound Name1-tert-butyl-2-[(E)-1-methoxy-2-phenylprop-1-enyl]benzene
PubChem CID11033268
Molecular FormulaC20H24O
Molecular Weight280.41 g/mol
Exact Mass280.18
IUPAC Name1-tert-butyl-2-[(E)-1-methoxy-2-phenylprop-1-enyl]benzene
SMILESCO/C(=C(\C)c1ccccc1)c1ccccc1C(C)(C)C
InChIInChI=1S/C20H24O/c1-15(16-11-7-6-8-12-16)19(21-5)17-13-9-10-14-18(17)20(2,3)4/h6-14H,1-5H3/b19-15+
InChIKeyZCHHFRNXUXENDU-XDJHFCHBSA-N
XLogP5.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.41
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

bis(2-tert-butylbenzoate);cadmium(2+)
CID 71436894
tris(1,2-ditert-butylbenzene);methanol
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CID 71336376
1-(2-tert-butylphenyl)ethanone;1-(4-tert-butylphenyl)ethanone
CID 160581245
2-(2-methoxypropan-2-yl)benzoic acid
CID 117111487
1,2-ditert-butyl-3-(2,2,5,5-tetramethyl-4-phenylhex-3-en-3-yl)benzene
CID 90870209
3-methoxy-2-methyl-3-phenylprop-2-enoic acid
CID 57324055
methyl 2-(2-methyl-3-oxobutan-2-yl)benzoate
CID 10751401
methyl 2-(2-acetylphenyl)-2-methylpropanoate
CID 10608941
2-tert-butyl-N'-(2-hydroxybenzoyl)benzohydrazide
CID 66844777
(2-tert-butylphenyl) benzoate
CID 734595
[2-methyl-1-(2-methyl-1-phenylprop-1-enoxy)prop-1-enyl]benzene
CID 57127661

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-[(E)-1-methoxy-2-phenylprop-1-enyl]benzene?
The IUPAC name of 1-tert-butyl-2-[(E)-1-methoxy-2-phenylprop-1-enyl]benzene (CID 11033268) is 1-tert-butyl-2-[(E)-1-methoxy-2-phenylprop-1-enyl]benzene.
What is the SMILES notation for 1-tert-butyl-2-[(E)-1-methoxy-2-phenylprop-1-enyl]benzene?
The canonical SMILES for 1-tert-butyl-2-[(E)-1-methoxy-2-phenylprop-1-enyl]benzene is CO/C(=C(\C)c1ccccc1)c1ccccc1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-2-[(E)-1-methoxy-2-phenylprop-1-enyl]benzene?
The InChIKey is ZCHHFRNXUXENDU-XDJHFCHBSA-N. The full InChI is InChI=1S/C20H24O/c1-15(16-11-7-6-8-12-16)19(21-5)17-13-9-10-14-18(17)20(2,3)4/h6-14H,1-5H3/b19-15+.
What are the key properties of 1-tert-butyl-2-[(E)-1-methoxy-2-phenylprop-1-enyl]benzene?
1-tert-butyl-2-[(E)-1-methoxy-2-phenylprop-1-enyl]benzene has a molecular weight of 280.41 g/mol, XLogP of 5.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-[(E)-1-methoxy-2-phenylprop-1-enyl]benzene is sourced from PubChem (CID 11033268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).