1-(3-bromoprop-1-enyl)-2-chloro-3-methoxybenzene

C10H10BrClO — CID 169476604

IUPAC1-(3-bromoprop-1-enyl)-2-chloro-3-methoxybenzene
SMILESCOc1cccc(C=CCBr)c1Cl
InChIInChI=1S/C10H10BrClO/c1-13-9-6-2-4-8(10(9)12)5-3-7-11/h2-6H,7H2,1H3
InChIKeyGZODVPBGRMCYJX-UHFFFAOYSA-N
MW261.55 g/mol
LogP3.76
Rot. Bonds3

About 1-(3-bromoprop-1-enyl)-2-chloro-3-methoxybenzene

1-(3-bromoprop-1-enyl)-2-chloro-3-methoxybenzene (PubChem CID 169476604) has the molecular formula C10H10BrClO and a molecular weight of 261.55 g/mol. Its IUPAC name is 1-(3-bromoprop-1-enyl)-2-chloro-3-methoxybenzene.

Molecular Properties

Compound Name1-(3-bromoprop-1-enyl)-2-chloro-3-methoxybenzene
PubChem CID169476604
Molecular FormulaC10H10BrClO
Molecular Weight261.55 g/mol
Exact Mass259.96
IUPAC Name1-(3-bromoprop-1-enyl)-2-chloro-3-methoxybenzene
SMILESCOc1cccc(C=CCBr)c1Cl
InChIInChI=1S/C10H10BrClO/c1-13-9-6-2-4-8(10(9)12)5-3-7-11/h2-6H,7H2,1H3
InChIKeyGZODVPBGRMCYJX-UHFFFAOYSA-N
XLogP3.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.55
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(3-bromoprop-1-enyl)-6-methoxybenzonitrile
CID 169475910
1-(3-bromoprop-1-enyl)-3-fluoro-2-methoxybenzene
CID 169475359
1-(3-bromoprop-1-enyl)-4,5-difluoro-2-methoxybenzene
CID 169475772
(E)-3-(2,3-dimethoxyphenyl)prop-2-en-1-ol
CID 67913122
(E)-3-(2-methoxyphenyl)prop-2-en-1-ol
CID 11400969
1-methoxy-2-[(1E,5E)-3,3,4,4-tetradeuterio-6-(2-methoxyphenyl)hexa-1,5-dienyl]benzene
CID 10709219
3-(2,3-dimethoxyphenyl)prop-2-ene-1-thiol
CID 169456447
1-(3-bromoprop-1-enyl)-2-(dimethoxymethyl)benzene
CID 169475971
(E)-3-(2-chloro-3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide
CID 45051346
3-(2,3-dimethoxyphenyl)-N-ethylprop-2-en-1-amine
CID 79346794
2-chloro-1-(3-chloroprop-1-enyl)-3,4-dimethoxybenzene
CID 79335637
(E)-3-(2-chloro-3,4-dimethoxyphenyl)prop-2-en-1-ol
CID 163198757

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromoprop-1-enyl)-2-chloro-3-methoxybenzene?
The IUPAC name of 1-(3-bromoprop-1-enyl)-2-chloro-3-methoxybenzene (CID 169476604) is 1-(3-bromoprop-1-enyl)-2-chloro-3-methoxybenzene.
What is the SMILES notation for 1-(3-bromoprop-1-enyl)-2-chloro-3-methoxybenzene?
The canonical SMILES for 1-(3-bromoprop-1-enyl)-2-chloro-3-methoxybenzene is COc1cccc(C=CCBr)c1Cl.
What is the InChIKey of 1-(3-bromoprop-1-enyl)-2-chloro-3-methoxybenzene?
The InChIKey is GZODVPBGRMCYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClO/c1-13-9-6-2-4-8(10(9)12)5-3-7-11/h2-6H,7H2,1H3.
What are the key properties of 1-(3-bromoprop-1-enyl)-2-chloro-3-methoxybenzene?
1-(3-bromoprop-1-enyl)-2-chloro-3-methoxybenzene has a molecular weight of 261.55 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromoprop-1-enyl)-2-chloro-3-methoxybenzene is sourced from PubChem (CID 169476604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).