1-[(E)-1-bromo-2-phenylbut-1-enyl]-4-[(2-methylpropan-2-yl)oxy]benzene

C20H23BrO — CID 58825088

IUPAC1-[(E)-1-bromo-2-phenylbut-1-enyl]-4-[(2-methylpropan-2-yl)oxy]benzene
SMILESCC/C(=C(\Br)c1ccc(OC(C)(C)C)cc1)c1ccccc1
InChIInChI=1S/C20H23BrO/c1-5-18(15-9-7-6-8-10-15)19(21)16-11-13-17(14-12-16)22-20(2,3)4/h6-14H,5H2,1-4H3/b19-18+
InChIKeyNRPZKOXTCGGKKB-VHEBQXMUSA-N
MW359.31 g/mol
LogP6.54
Rot. Bonds4

About 1-[(E)-1-bromo-2-phenylbut-1-enyl]-4-[(2-methylpropan-2-yl)oxy]benzene

1-[(E)-1-bromo-2-phenylbut-1-enyl]-4-[(2-methylpropan-2-yl)oxy]benzene (PubChem CID 58825088) has the molecular formula C20H23BrO and a molecular weight of 359.31 g/mol. Its IUPAC name is 1-[(E)-1-bromo-2-phenylbut-1-enyl]-4-[(2-methylpropan-2-yl)oxy]benzene.

Molecular Properties

Compound Name1-[(E)-1-bromo-2-phenylbut-1-enyl]-4-[(2-methylpropan-2-yl)oxy]benzene
PubChem CID58825088
Molecular FormulaC20H23BrO
Molecular Weight359.31 g/mol
Exact Mass358.09
IUPAC Name1-[(E)-1-bromo-2-phenylbut-1-enyl]-4-[(2-methylpropan-2-yl)oxy]benzene
SMILESCC/C(=C(\Br)c1ccc(OC(C)(C)C)cc1)c1ccccc1
InChIInChI=1S/C20H23BrO/c1-5-18(15-9-7-6-8-10-15)19(21)16-11-13-17(14-12-16)22-20(2,3)4/h6-14H,5H2,1-4H3/b19-18+
InChIKeyNRPZKOXTCGGKKB-VHEBQXMUSA-N
XLogP6.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.31
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2-methylpropan-2-yl)oxybenzene;propane
CID 169265117
1-[(Z)-1,2-diphenylbut-1-enyl]-4-methoxybenzene;ethane
CID 170597875
ethane;methane;(2-methylpropan-2-yl)oxybenzene
CID 159885563
ethane;methane;(2-methylpropan-2-yl)oxybenzene
CID 161423888
1-butoxy-4-[(Z)-1,2-diphenylbut-1-enyl]benzene
CID 149186227
1-(5-bromopentoxy)-4-(1,2-diphenylbut-1-enyl)benzene
CID 67653107
1-[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl-methylamino]-2-methylpropan-2-ol
CID 67854533
ethene;1-ethoxy-4-[(2-methylpropan-2-yl)oxy]benzene
CID 174706040
1-(methoxymethoxy)-4-[1-[4-(methoxymethoxy)phenyl]-2-phenylbut-1-enyl]benzene
CID 138319933
trimethyl-[(Z)-1-[(2-methylpropan-2-yl)oxy]-2-phenylbut-1-enoxy]silane
CID 101240316
trimethyl-[(E)-1-[(2-methylpropan-2-yl)oxy]-2-phenylbut-1-enoxy]silane
CID 101240315
N-ethyl-2-methylpropan-2-amine;(2-methylpropan-2-yl)oxybenzene
CID 159885987

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1-bromo-2-phenylbut-1-enyl]-4-[(2-methylpropan-2-yl)oxy]benzene?
The IUPAC name of 1-[(E)-1-bromo-2-phenylbut-1-enyl]-4-[(2-methylpropan-2-yl)oxy]benzene (CID 58825088) is 1-[(E)-1-bromo-2-phenylbut-1-enyl]-4-[(2-methylpropan-2-yl)oxy]benzene.
What is the SMILES notation for 1-[(E)-1-bromo-2-phenylbut-1-enyl]-4-[(2-methylpropan-2-yl)oxy]benzene?
The canonical SMILES for 1-[(E)-1-bromo-2-phenylbut-1-enyl]-4-[(2-methylpropan-2-yl)oxy]benzene is CC/C(=C(\Br)c1ccc(OC(C)(C)C)cc1)c1ccccc1.
What is the InChIKey of 1-[(E)-1-bromo-2-phenylbut-1-enyl]-4-[(2-methylpropan-2-yl)oxy]benzene?
The InChIKey is NRPZKOXTCGGKKB-VHEBQXMUSA-N. The full InChI is InChI=1S/C20H23BrO/c1-5-18(15-9-7-6-8-10-15)19(21)16-11-13-17(14-12-16)22-20(2,3)4/h6-14H,5H2,1-4H3/b19-18+.
What are the key properties of 1-[(E)-1-bromo-2-phenylbut-1-enyl]-4-[(2-methylpropan-2-yl)oxy]benzene?
1-[(E)-1-bromo-2-phenylbut-1-enyl]-4-[(2-methylpropan-2-yl)oxy]benzene has a molecular weight of 359.31 g/mol, XLogP of 6.54, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1-bromo-2-phenylbut-1-enyl]-4-[(2-methylpropan-2-yl)oxy]benzene is sourced from PubChem (CID 58825088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).