2-bromo-4-[2-chloro-2-(3-chloro-4-hydroxyphenyl)ethyl]phenol

C14H11BrCl2O2 — CID 70611604

IUPAC2-bromo-4-[2-chloro-2-(3-chloro-4-hydroxyphenyl)ethyl]phenol
SMILESOc1ccc(C(Cl)Cc2ccc(O)c(Br)c2)cc1Cl
InChIInChI=1S/C14H11BrCl2O2/c15-10-5-8(1-3-13(10)18)6-11(16)9-2-4-14(19)12(17)7-9/h1-5,7,11,18-19H,6H2
InChIKeyXVXGQMDAELALHP-UHFFFAOYSA-N
MW362.05 g/mol
LogP5.04
Rot. Bonds3

About 2-bromo-4-[2-chloro-2-(3-chloro-4-hydroxyphenyl)ethyl]phenol

2-bromo-4-[2-chloro-2-(3-chloro-4-hydroxyphenyl)ethyl]phenol (PubChem CID 70611604) has the molecular formula C14H11BrCl2O2 and a molecular weight of 362.05 g/mol. Its IUPAC name is 2-bromo-4-[2-chloro-2-(3-chloro-4-hydroxyphenyl)ethyl]phenol.

Molecular Properties

Compound Name2-bromo-4-[2-chloro-2-(3-chloro-4-hydroxyphenyl)ethyl]phenol
PubChem CID70611604
Molecular FormulaC14H11BrCl2O2
Molecular Weight362.05 g/mol
Exact Mass359.93
IUPAC Name2-bromo-4-[2-chloro-2-(3-chloro-4-hydroxyphenyl)ethyl]phenol
SMILESOc1ccc(C(Cl)Cc2ccc(O)c(Br)c2)cc1Cl
InChIInChI=1S/C14H11BrCl2O2/c15-10-5-8(1-3-13(10)18)6-11(16)9-2-4-14(19)12(17)7-9/h1-5,7,11,18-19H,6H2
InChIKeyXVXGQMDAELALHP-UHFFFAOYSA-N
XLogP5.04
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.05
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-2-chloro-4-[1-chloro-2-(3,4-dimethylphenyl)ethyl]benzene
CID 81307831
2-bromo-4-(2-methylpropyl)phenol;hydrobromide
CID 162312266
2-bromo-1-chloro-4-[1-chloro-2-(4-methylphenyl)ethyl]benzene
CID 107993341
2-bromo-4-[(3-chloro-4-hydroxyanilino)methyl]phenol
CID 107677992
3-(3-bromo-4-hydroxyphenyl)-2-(4-hydroxyphenyl)propanenitrile
CID 44575014
1-bromo-2-chloro-4-[1-chloro-2-(3-methoxyphenyl)ethyl]benzene
CID 81307279
2-bromo-4-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]phenol
CID 81353451
3-(3-chloro-4-hydroxyphenyl)-2-(4-fluorophenyl)propanoic acid
CID 83952263
3-(3-chloro-4-hydroxyphenyl)-2-(4-ethylphenyl)propanoic acid
CID 83952274
4-[2-(aminomethyl)-3-hydroxypropyl]-2-bromophenol
CID 83977179
4-[3-amino-2-(3-chloro-4-methoxyphenyl)propyl]-2-chlorophenol
CID 83973477
1,2-dichloro-4-[2-chloro-2-(3-chloro-4-methoxyphenyl)ethyl]benzene
CID 63431003

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[2-chloro-2-(3-chloro-4-hydroxyphenyl)ethyl]phenol?
The IUPAC name of 2-bromo-4-[2-chloro-2-(3-chloro-4-hydroxyphenyl)ethyl]phenol (CID 70611604) is 2-bromo-4-[2-chloro-2-(3-chloro-4-hydroxyphenyl)ethyl]phenol.
What is the SMILES notation for 2-bromo-4-[2-chloro-2-(3-chloro-4-hydroxyphenyl)ethyl]phenol?
The canonical SMILES for 2-bromo-4-[2-chloro-2-(3-chloro-4-hydroxyphenyl)ethyl]phenol is Oc1ccc(C(Cl)Cc2ccc(O)c(Br)c2)cc1Cl.
What is the InChIKey of 2-bromo-4-[2-chloro-2-(3-chloro-4-hydroxyphenyl)ethyl]phenol?
The InChIKey is XVXGQMDAELALHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrCl2O2/c15-10-5-8(1-3-13(10)18)6-11(16)9-2-4-14(19)12(17)7-9/h1-5,7,11,18-19H,6H2.
What are the key properties of 2-bromo-4-[2-chloro-2-(3-chloro-4-hydroxyphenyl)ethyl]phenol?
2-bromo-4-[2-chloro-2-(3-chloro-4-hydroxyphenyl)ethyl]phenol has a molecular weight of 362.05 g/mol, XLogP of 5.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[2-chloro-2-(3-chloro-4-hydroxyphenyl)ethyl]phenol is sourced from PubChem (CID 70611604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).