[5-(3-bromoprop-1-enyl)-2-chlorophenyl]methanol

C10H10BrClO — CID 169475368

IUPAC[5-(3-bromoprop-1-enyl)-2-chlorophenyl]methanol
SMILESOCc1cc(C=CCBr)ccc1Cl
InChIInChI=1S/C10H10BrClO/c11-5-1-2-8-3-4-10(12)9(6-8)7-13/h1-4,6,13H,5,7H2
InChIKeyLAAAZAGNLZNNAW-UHFFFAOYSA-N
MW261.55 g/mol
LogP3.24
Rot. Bonds3

About [5-(3-bromoprop-1-enyl)-2-chlorophenyl]methanol

[5-(3-bromoprop-1-enyl)-2-chlorophenyl]methanol (PubChem CID 169475368) has the molecular formula C10H10BrClO and a molecular weight of 261.55 g/mol. Its IUPAC name is [5-(3-bromoprop-1-enyl)-2-chlorophenyl]methanol.

Molecular Properties

Compound Name[5-(3-bromoprop-1-enyl)-2-chlorophenyl]methanol
PubChem CID169475368
Molecular FormulaC10H10BrClO
Molecular Weight261.55 g/mol
Exact Mass259.96
IUPAC Name[5-(3-bromoprop-1-enyl)-2-chlorophenyl]methanol
SMILESOCc1cc(C=CCBr)ccc1Cl
InChIInChI=1S/C10H10BrClO/c11-5-1-2-8-3-4-10(12)9(6-8)7-13/h1-4,6,13H,5,7H2
InChIKeyLAAAZAGNLZNNAW-UHFFFAOYSA-N
XLogP3.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.55
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[5-(3-bromoprop-1-enyl)-2-methylphenyl]methanol
CID 169475402
5-(3-bromoprop-1-enyl)-2-chlorophenol
CID 169475092
3-[4-chloro-3-(hydroxymethyl)phenyl]prop-2-enenitrile
CID 169483359
4-[4-chloro-3-(chloromethyl)phenyl]but-3-en-1-ol
CID 170476378
1-[4-(3-bromoprop-1-enyl)-2-chlorophenyl]ethanone
CID 169475753
[5-(4-bromobut-1-enyl)-2-fluorophenyl]methanol
CID 170497332
3-(3-amino-4-chlorophenyl)prop-2-en-1-ol
CID 169453053
[5-(3-chloroprop-1-enyl)-2-methylphenyl]methanol
CID 169477252
1-(3-bromoprop-1-enyl)-3,5-dichlorobenzene
CID 54321123
4-(3-bromoprop-1-enyl)-1,2-difluorobenzene
CID 4997890
3-(4-bromo-3-chlorophenyl)prop-2-en-1-ol
CID 169454245
3-(3-bromoprop-1-enyl)-4-chlorophenol
CID 169475079

Frequently Asked Questions

What is the IUPAC name of [5-(3-bromoprop-1-enyl)-2-chlorophenyl]methanol?
The IUPAC name of [5-(3-bromoprop-1-enyl)-2-chlorophenyl]methanol (CID 169475368) is [5-(3-bromoprop-1-enyl)-2-chlorophenyl]methanol.
What is the SMILES notation for [5-(3-bromoprop-1-enyl)-2-chlorophenyl]methanol?
The canonical SMILES for [5-(3-bromoprop-1-enyl)-2-chlorophenyl]methanol is OCc1cc(C=CCBr)ccc1Cl.
What is the InChIKey of [5-(3-bromoprop-1-enyl)-2-chlorophenyl]methanol?
The InChIKey is LAAAZAGNLZNNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClO/c11-5-1-2-8-3-4-10(12)9(6-8)7-13/h1-4,6,13H,5,7H2.
What are the key properties of [5-(3-bromoprop-1-enyl)-2-chlorophenyl]methanol?
[5-(3-bromoprop-1-enyl)-2-chlorophenyl]methanol has a molecular weight of 261.55 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-bromoprop-1-enyl)-2-chlorophenyl]methanol is sourced from PubChem (CID 169475368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).