1-bromo-4-[(E)-3-(4-methoxyphenyl)prop-1-enyl]benzene

C16H15BrO — CID 101485865

IUPAC1-bromo-4-[(E)-3-(4-methoxyphenyl)prop-1-enyl]benzene
SMILESCOc1ccc(C/C=C/c2ccc(Br)cc2)cc1
InChIInChI=1S/C16H15BrO/c1-18-16-11-7-14(8-12-16)4-2-3-13-5-9-15(17)10-6-13/h2-3,5-12H,4H2,1H3/b3-2+
InChIKeyARBQWYGFIYVNHG-NSCUHMNNSA-N
MW303.20 g/mol
LogP4.71
Rot. Bonds4

About 1-bromo-4-[(E)-3-(4-methoxyphenyl)prop-1-enyl]benzene

1-bromo-4-[(E)-3-(4-methoxyphenyl)prop-1-enyl]benzene (PubChem CID 101485865) has the molecular formula C16H15BrO and a molecular weight of 303.20 g/mol. Its IUPAC name is 1-bromo-4-[(E)-3-(4-methoxyphenyl)prop-1-enyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[(E)-3-(4-methoxyphenyl)prop-1-enyl]benzene
PubChem CID101485865
Molecular FormulaC16H15BrO
Molecular Weight303.20 g/mol
Exact Mass302.03
IUPAC Name1-bromo-4-[(E)-3-(4-methoxyphenyl)prop-1-enyl]benzene
SMILESCOc1ccc(C/C=C/c2ccc(Br)cc2)cc1
InChIInChI=1S/C16H15BrO/c1-18-16-11-7-14(8-12-16)4-2-3-13-5-9-15(17)10-6-13/h2-3,5-12H,4H2,1H3/b3-2+
InChIKeyARBQWYGFIYVNHG-NSCUHMNNSA-N
XLogP4.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methoxy-4-[(E)-3-(4-methoxyphenyl)prop-1-enyl]benzene
CID 10800947
1-methoxy-4-[4-(4-methoxyphenyl)but-2-enyl]benzene
CID 54485845
1,2-dimethoxy-4-[(E)-3-(4-methoxyphenyl)prop-2-enyl]benzene
CID 46231236
1,2,3-trimethoxy-5-[3-(4-methoxyphenyl)prop-1-enyl]benzene
CID 141151486
(E)-N-[(4-bromophenyl)methyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 61400451
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
1-[(E)-3-iodoprop-1-enyl]-4-methoxybenzene
CID 135075727
1-ethyl-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 21449166
1-bromo-4-methoxybenzene;chromium;formaldehyde
CID 173400891
(4-bromophenyl)methyl-[(4-methoxyphenyl)methyl]azanium
CID 3504597
1-(8-bromoocta-1,5-dienyl)-4-methoxybenzene
CID 54162111
(E)-5-(4-methoxyphenyl)pent-4-en-2-amine
CID 55254782

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[(E)-3-(4-methoxyphenyl)prop-1-enyl]benzene?
The IUPAC name of 1-bromo-4-[(E)-3-(4-methoxyphenyl)prop-1-enyl]benzene (CID 101485865) is 1-bromo-4-[(E)-3-(4-methoxyphenyl)prop-1-enyl]benzene.
What is the SMILES notation for 1-bromo-4-[(E)-3-(4-methoxyphenyl)prop-1-enyl]benzene?
The canonical SMILES for 1-bromo-4-[(E)-3-(4-methoxyphenyl)prop-1-enyl]benzene is COc1ccc(C/C=C/c2ccc(Br)cc2)cc1.
What is the InChIKey of 1-bromo-4-[(E)-3-(4-methoxyphenyl)prop-1-enyl]benzene?
The InChIKey is ARBQWYGFIYVNHG-NSCUHMNNSA-N. The full InChI is InChI=1S/C16H15BrO/c1-18-16-11-7-14(8-12-16)4-2-3-13-5-9-15(17)10-6-13/h2-3,5-12H,4H2,1H3/b3-2+.
What are the key properties of 1-bromo-4-[(E)-3-(4-methoxyphenyl)prop-1-enyl]benzene?
1-bromo-4-[(E)-3-(4-methoxyphenyl)prop-1-enyl]benzene has a molecular weight of 303.20 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[(E)-3-(4-methoxyphenyl)prop-1-enyl]benzene is sourced from PubChem (CID 101485865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).