1-[(E)-3-bromo-1-methoxy-3-phenylprop-2-enyl]-4-fluorobenzene

C16H14BrFO — CID 135043672

IUPAC1-[(E)-3-bromo-1-methoxy-3-phenylprop-2-enyl]-4-fluorobenzene
SMILESCOC(/C=C(/Br)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C16H14BrFO/c1-19-16(13-7-9-14(18)10-8-13)11-15(17)12-5-3-2-4-6-12/h2-11,16H,1H3/b15-11+
InChIKeyCUAOYEQPGQQFJO-RVDMUPIBSA-N
MW321.19 g/mol
LogP4.95
Rot. Bonds4

About 1-[(E)-3-bromo-1-methoxy-3-phenylprop-2-enyl]-4-fluorobenzene

1-[(E)-3-bromo-1-methoxy-3-phenylprop-2-enyl]-4-fluorobenzene (PubChem CID 135043672) has the molecular formula C16H14BrFO and a molecular weight of 321.19 g/mol. Its IUPAC name is 1-[(E)-3-bromo-1-methoxy-3-phenylprop-2-enyl]-4-fluorobenzene.

Molecular Properties

Compound Name1-[(E)-3-bromo-1-methoxy-3-phenylprop-2-enyl]-4-fluorobenzene
PubChem CID135043672
Molecular FormulaC16H14BrFO
Molecular Weight321.19 g/mol
Exact Mass320.02
IUPAC Name1-[(E)-3-bromo-1-methoxy-3-phenylprop-2-enyl]-4-fluorobenzene
SMILESCOC(/C=C(/Br)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C16H14BrFO/c1-19-16(13-7-9-14(18)10-8-13)11-15(17)12-5-3-2-4-6-12/h2-11,16H,1H3/b15-11+
InChIKeyCUAOYEQPGQQFJO-RVDMUPIBSA-N
XLogP4.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.19
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[(E)-3-bromo-1-methoxy-3-phenylprop-2-enyl]-4-fluorobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Bis(1-phenylethyl) ether
CID 62342
2H-Pyran, 3,6-dihydro-4-methyl-2-phenyl-
CID 108443
Benzene, 1,1'-(methoxymethylene)bis-
CID 219159
(1-Methoxyethyl)benzene
CID 19913
5,6-dihydro-4-methyl-2-phenyl-2H-pyran
CID 108442
Diphenylmethyl propyl ether
CID 4651659
1-Bromo-4-(1-methoxyethyl)benzene
CID 10965890
1-((Benzyloxy)methyl)-4-bromobenzene
CID 11254408
2-Bromo-5-fluorobenzyl alcohol, tert.-butyl ether
CID 91730098
Ether, alpha-(bromomethyl)benzyl propyl
CID 40556
[2-Bromo-1-(propan-2-yloxy)ethyl]benzene
CID 12636343
Tert-butyl diphenylmethyl ether
CID 255804

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-bromo-1-methoxy-3-phenylprop-2-enyl]-4-fluorobenzene?
The IUPAC name of 1-[(E)-3-bromo-1-methoxy-3-phenylprop-2-enyl]-4-fluorobenzene (CID 135043672) is 1-[(E)-3-bromo-1-methoxy-3-phenylprop-2-enyl]-4-fluorobenzene.
What is the SMILES notation for 1-[(E)-3-bromo-1-methoxy-3-phenylprop-2-enyl]-4-fluorobenzene?
The canonical SMILES for 1-[(E)-3-bromo-1-methoxy-3-phenylprop-2-enyl]-4-fluorobenzene is COC(/C=C(/Br)c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 1-[(E)-3-bromo-1-methoxy-3-phenylprop-2-enyl]-4-fluorobenzene?
The InChIKey is CUAOYEQPGQQFJO-RVDMUPIBSA-N. The full InChI is InChI=1S/C16H14BrFO/c1-19-16(13-7-9-14(18)10-8-13)11-15(17)12-5-3-2-4-6-12/h2-11,16H,1H3/b15-11+.
What are the key properties of 1-[(E)-3-bromo-1-methoxy-3-phenylprop-2-enyl]-4-fluorobenzene?
1-[(E)-3-bromo-1-methoxy-3-phenylprop-2-enyl]-4-fluorobenzene has a molecular weight of 321.19 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-bromo-1-methoxy-3-phenylprop-2-enyl]-4-fluorobenzene is sourced from PubChem (CID 135043672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).