1-bromo-4-[(E)-2-(4-fluorophenyl)ethenyl]-2-methoxybenzene

C15H12BrFO — CID 130290825

IUPAC1-bromo-4-[(E)-2-(4-fluorophenyl)ethenyl]-2-methoxybenzene
SMILESCOc1cc(/C=C/c2ccc(F)cc2)ccc1Br
InChIInChI=1S/C15H12BrFO/c1-18-15-10-12(6-9-14(15)16)3-2-11-4-7-13(17)8-5-11/h2-10H,1H3/b3-2+
InChIKeyCPDLBHKHGURHRZ-NSCUHMNNSA-N
MW307.16 g/mol
LogP4.77
Rot. Bonds3

About 1-bromo-4-[(E)-2-(4-fluorophenyl)ethenyl]-2-methoxybenzene

1-bromo-4-[(E)-2-(4-fluorophenyl)ethenyl]-2-methoxybenzene (PubChem CID 130290825) has the molecular formula C15H12BrFO and a molecular weight of 307.16 g/mol. Its IUPAC name is 1-bromo-4-[(E)-2-(4-fluorophenyl)ethenyl]-2-methoxybenzene.

Molecular Properties

Compound Name1-bromo-4-[(E)-2-(4-fluorophenyl)ethenyl]-2-methoxybenzene
PubChem CID130290825
Molecular FormulaC15H12BrFO
Molecular Weight307.16 g/mol
Exact Mass306.01
IUPAC Name1-bromo-4-[(E)-2-(4-fluorophenyl)ethenyl]-2-methoxybenzene
SMILESCOc1cc(/C=C/c2ccc(F)cc2)ccc1Br
InChIInChI=1S/C15H12BrFO/c1-18-15-10-12(6-9-14(15)16)3-2-11-4-7-13(17)8-5-11/h2-10H,1H3/b3-2+
InChIKeyCPDLBHKHGURHRZ-NSCUHMNNSA-N
XLogP4.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.16
LogP ≤ 54.77
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

3-(4-bromo-3-methoxyphenyl)prop-2-enenitrile
CID 169484396
3-(4-bromo-3-methoxyphenyl)prop-2-ene-1-thiol
CID 169456250
2-bromo-1-methoxy-4-[(Z)-2-(4-methoxyphenyl)ethenyl]benzene
CID 92898574
5-[(E)-2-(4-fluorophenyl)ethenyl]-3-methoxy-2-propan-2-ylpyridine
CID 168883114
2-(4-fluorophenyl)-1-methoxy-4-prop-1-enylbenzene
CID 141071420
1-bromo-2-[2-(3,4-dimethoxyphenyl)ethenyl]-3,4-dimethylbenzene
CID 141307971
(E)-3-(3-bromo-4-methoxyphenyl)-N-(4-fluorophenyl)prop-2-enamide
CID 1183429
5-[2-(4-fluoro-3-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene
CID 175460440
1,2,3,4,5-pentabromo-6-[2-[4-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]ethenyl]benzene
CID 141245082
1-[2,4-bis(4-fluorophenyl)-6-methoxyphenyl]-3-(3-bromo-4-methoxyphenyl)prop-2-en-1-one
CID 123160910
1-fluoro-4-[(Z)-2-methoxyethenyl]benzene
CID 5370161
5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-fluorobenzene-1,3-diol
CID 72723769

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[(E)-2-(4-fluorophenyl)ethenyl]-2-methoxybenzene?
The IUPAC name of 1-bromo-4-[(E)-2-(4-fluorophenyl)ethenyl]-2-methoxybenzene (CID 130290825) is 1-bromo-4-[(E)-2-(4-fluorophenyl)ethenyl]-2-methoxybenzene.
What is the SMILES notation for 1-bromo-4-[(E)-2-(4-fluorophenyl)ethenyl]-2-methoxybenzene?
The canonical SMILES for 1-bromo-4-[(E)-2-(4-fluorophenyl)ethenyl]-2-methoxybenzene is COc1cc(/C=C/c2ccc(F)cc2)ccc1Br.
What is the InChIKey of 1-bromo-4-[(E)-2-(4-fluorophenyl)ethenyl]-2-methoxybenzene?
The InChIKey is CPDLBHKHGURHRZ-NSCUHMNNSA-N. The full InChI is InChI=1S/C15H12BrFO/c1-18-15-10-12(6-9-14(15)16)3-2-11-4-7-13(17)8-5-11/h2-10H,1H3/b3-2+.
What are the key properties of 1-bromo-4-[(E)-2-(4-fluorophenyl)ethenyl]-2-methoxybenzene?
1-bromo-4-[(E)-2-(4-fluorophenyl)ethenyl]-2-methoxybenzene has a molecular weight of 307.16 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[(E)-2-(4-fluorophenyl)ethenyl]-2-methoxybenzene is sourced from PubChem (CID 130290825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).