(2-bromo-4,5-dichlorophenyl)methanol

C7H5BrCl2O — CID 68615356

IUPAC(2-bromo-4,5-dichlorophenyl)methanol
SMILESOCc1cc(Cl)c(Cl)cc1Br
InChIInChI=1S/C7H5BrCl2O/c8-5-2-7(10)6(9)1-4(5)3-11/h1-2,11H,3H2
InChIKeyMJONHYYHYTYJQZ-UHFFFAOYSA-N
MW255.93 g/mol
LogP3.25
Rot. Bonds1

About (2-bromo-4,5-dichlorophenyl)methanol

(2-bromo-4,5-dichlorophenyl)methanol (PubChem CID 68615356) has the molecular formula C7H5BrCl2O and a molecular weight of 255.93 g/mol. Its IUPAC name is (2-bromo-4,5-dichlorophenyl)methanol.

Molecular Properties

Compound Name(2-bromo-4,5-dichlorophenyl)methanol
PubChem CID68615356
Molecular FormulaC7H5BrCl2O
Molecular Weight255.93 g/mol
Exact Mass253.89
IUPAC Name(2-bromo-4,5-dichlorophenyl)methanol
SMILESOCc1cc(Cl)c(Cl)cc1Br
InChIInChI=1S/C7H5BrCl2O/c8-5-2-7(10)6(9)1-4(5)3-11/h1-2,11H,3H2
InChIKeyMJONHYYHYTYJQZ-UHFFFAOYSA-N
XLogP3.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.93
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-bromo-4,5-dichlorophenyl)methanol?
The IUPAC name of (2-bromo-4,5-dichlorophenyl)methanol (CID 68615356) is (2-bromo-4,5-dichlorophenyl)methanol.
What is the SMILES notation for (2-bromo-4,5-dichlorophenyl)methanol?
The canonical SMILES for (2-bromo-4,5-dichlorophenyl)methanol is OCc1cc(Cl)c(Cl)cc1Br.
What is the InChIKey of (2-bromo-4,5-dichlorophenyl)methanol?
The InChIKey is MJONHYYHYTYJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrCl2O/c8-5-2-7(10)6(9)1-4(5)3-11/h1-2,11H,3H2.
What are the key properties of (2-bromo-4,5-dichlorophenyl)methanol?
(2-bromo-4,5-dichlorophenyl)methanol has a molecular weight of 255.93 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4,5-dichlorophenyl)methanol is sourced from PubChem (CID 68615356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).