3-(2-bromo-1,2-dichloroethyl)phenol

C8H7BrCl2O — CID 141376760

IUPAC3-(2-bromo-1,2-dichloroethyl)phenol
SMILESOc1cccc(C(Cl)C(Cl)Br)c1
InChIInChI=1S/C8H7BrCl2O/c9-8(11)7(10)5-2-1-3-6(12)4-5/h1-4,7-8,12H
InChIKeyCJWWTQZZBUMMKR-UHFFFAOYSA-N
MW269.95 g/mol
LogP3.63
Rot. Bonds2

About 3-(2-bromo-1,2-dichloroethyl)phenol

3-(2-bromo-1,2-dichloroethyl)phenol (PubChem CID 141376760) has the molecular formula C8H7BrCl2O and a molecular weight of 269.95 g/mol. Its IUPAC name is 3-(2-bromo-1,2-dichloroethyl)phenol.

Molecular Properties

Compound Name3-(2-bromo-1,2-dichloroethyl)phenol
PubChem CID141376760
Molecular FormulaC8H7BrCl2O
Molecular Weight269.95 g/mol
Exact Mass267.91
IUPAC Name3-(2-bromo-1,2-dichloroethyl)phenol
SMILESOc1cccc(C(Cl)C(Cl)Br)c1
InChIInChI=1S/C8H7BrCl2O/c9-8(11)7(10)5-2-1-3-6(12)4-5/h1-4,7-8,12H
InChIKeyCJWWTQZZBUMMKR-UHFFFAOYSA-N
XLogP3.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.95
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(2-bromo-1,2-dichloroethyl)phenol 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

3-[(3S,4R)-4-(3-hydroxyphenyl)hexan-3-yl]phenol
CID 6917687
3-(1-bromo-3-sulfanylpropyl)phenol
CID 20523108
3-[(S)-(chloroamino)-phenylmethyl]phenol
CID 118402185
3-(dithiophen-2-ylmethyl)phenol
CID 46201100
3-[(1S)-1-amino-2,2-difluoroethyl]phenol
CID 130987764
3-[(1S,2S)-1,2-diaminopropyl]phenol
CID 130820529
3-[(1R)-1-amino-2,2-difluoroethyl]phenol;hydrochloride
CID 171238999
3-[1-(hydroxyamino)ethyl]phenol
CID 82684421
3-[(1R)-1-(dimethylamino)ethyl]phenol
CID 10313270
3-[hydroxy(methylamino)methyl]phenol
CID 14302211
3-(1-amino-2-fluoroethyl)phenol
CID 83815443
bis(benzene-1,3-diol);hydrate
CID 174320343

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-1,2-dichloroethyl)phenol?
The IUPAC name of 3-(2-bromo-1,2-dichloroethyl)phenol (CID 141376760) is 3-(2-bromo-1,2-dichloroethyl)phenol.
What is the SMILES notation for 3-(2-bromo-1,2-dichloroethyl)phenol?
The canonical SMILES for 3-(2-bromo-1,2-dichloroethyl)phenol is Oc1cccc(C(Cl)C(Cl)Br)c1.
What is the InChIKey of 3-(2-bromo-1,2-dichloroethyl)phenol?
The InChIKey is CJWWTQZZBUMMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrCl2O/c9-8(11)7(10)5-2-1-3-6(12)4-5/h1-4,7-8,12H.
What are the key properties of 3-(2-bromo-1,2-dichloroethyl)phenol?
3-(2-bromo-1,2-dichloroethyl)phenol has a molecular weight of 269.95 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-1,2-dichloroethyl)phenol is sourced from PubChem (CID 141376760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).