2,4-dibromo-6-(3-hydroxyprop-1-enyl)phenol

C9H8Br2O2 — CID 169454368

IUPAC2,4-dibromo-6-(3-hydroxyprop-1-enyl)phenol
SMILESOCC=Cc1cc(Br)cc(Br)c1O
InChIInChI=1S/C9H8Br2O2/c10-7-4-6(2-1-3-12)9(13)8(11)5-7/h1-2,4-5,12-13H,3H2
InChIKeyFMGQHKLBMCCFSH-UHFFFAOYSA-N
MW307.97 g/mol
LogP2.92
Rot. Bonds2

About 2,4-dibromo-6-(3-hydroxyprop-1-enyl)phenol

2,4-dibromo-6-(3-hydroxyprop-1-enyl)phenol (PubChem CID 169454368) has the molecular formula C9H8Br2O2 and a molecular weight of 307.97 g/mol. Its IUPAC name is 2,4-dibromo-6-(3-hydroxyprop-1-enyl)phenol.

Molecular Properties

Compound Name2,4-dibromo-6-(3-hydroxyprop-1-enyl)phenol
PubChem CID169454368
Molecular FormulaC9H8Br2O2
Molecular Weight307.97 g/mol
Exact Mass305.89
IUPAC Name2,4-dibromo-6-(3-hydroxyprop-1-enyl)phenol
SMILESOCC=Cc1cc(Br)cc(Br)c1O
InChIInChI=1S/C9H8Br2O2/c10-7-4-6(2-1-3-12)9(13)8(11)5-7/h1-2,4-5,12-13H,3H2
InChIKeyFMGQHKLBMCCFSH-UHFFFAOYSA-N
XLogP2.92
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.97
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dibromo-6-(3-bromoprop-1-enyl)phenol
CID 169476608
2-(3-aminoprop-1-enyl)-4,6-dibromophenol
CID 169464646
2,4-dibromo-6-[(E)-heptadec-1-enyl]phenol
CID 10767322
4-bromo-2-[(E)-3-hydroxyprop-1-enyl]phenol
CID 12641145
2,4-dibromo-6-[(E)-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol
CID 135459439
(E)-3-(3,5-dibromo-2-hydroxyphenyl)prop-2-enamide
CID 131238888
2,4-dibromo-6-[2-[(1R,2R)-2-[2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]cyclohexyl]ethenyl]phenol
CID 59075126
2,4-dibromo-6-(ethyliminomethyl)phenol
CID 139079595
2,4-dibromo-6-[[3-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2,2-dimethylpropyl]iminomethyl]phenol
CID 139083032
3-(2-bromo-5-methoxyphenyl)prop-2-en-1-ol
CID 169454365
4-bromo-2-methoxy-6-(3-sulfanylprop-1-enyl)phenol
CID 169456438
6-[(E)-2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]-1H-pyrimidin-2-one
CID 135500049

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-(3-hydroxyprop-1-enyl)phenol?
The IUPAC name of 2,4-dibromo-6-(3-hydroxyprop-1-enyl)phenol (CID 169454368) is 2,4-dibromo-6-(3-hydroxyprop-1-enyl)phenol.
What is the SMILES notation for 2,4-dibromo-6-(3-hydroxyprop-1-enyl)phenol?
The canonical SMILES for 2,4-dibromo-6-(3-hydroxyprop-1-enyl)phenol is OCC=Cc1cc(Br)cc(Br)c1O.
What is the InChIKey of 2,4-dibromo-6-(3-hydroxyprop-1-enyl)phenol?
The InChIKey is FMGQHKLBMCCFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Br2O2/c10-7-4-6(2-1-3-12)9(13)8(11)5-7/h1-2,4-5,12-13H,3H2.
What are the key properties of 2,4-dibromo-6-(3-hydroxyprop-1-enyl)phenol?
2,4-dibromo-6-(3-hydroxyprop-1-enyl)phenol has a molecular weight of 307.97 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-(3-hydroxyprop-1-enyl)phenol is sourced from PubChem (CID 169454368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).