(4-bromo-3,5-dichlorophenyl)methanol

C7H5BrCl2O — CID 54366784

IUPAC(4-bromo-3,5-dichlorophenyl)methanol
SMILESOCc1cc(Cl)c(Br)c(Cl)c1
InChIInChI=1S/C7H5BrCl2O/c8-7-5(9)1-4(3-11)2-6(7)10/h1-2,11H,3H2
InChIKeyUQINSWIKRCKCFX-UHFFFAOYSA-N
MW255.93 g/mol
LogP3.25
Rot. Bonds1

About (4-bromo-3,5-dichlorophenyl)methanol

(4-bromo-3,5-dichlorophenyl)methanol (PubChem CID 54366784) has the molecular formula C7H5BrCl2O and a molecular weight of 255.93 g/mol. Its IUPAC name is (4-bromo-3,5-dichlorophenyl)methanol.

Molecular Properties

Compound Name(4-bromo-3,5-dichlorophenyl)methanol
PubChem CID54366784
Molecular FormulaC7H5BrCl2O
Molecular Weight255.93 g/mol
Exact Mass253.89
IUPAC Name(4-bromo-3,5-dichlorophenyl)methanol
SMILESOCc1cc(Cl)c(Br)c(Cl)c1
InChIInChI=1S/C7H5BrCl2O/c8-7-5(9)1-4(3-11)2-6(7)10/h1-2,11H,3H2
InChIKeyUQINSWIKRCKCFX-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_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-3,5-dichlorophenyl)methanol?
The IUPAC name of (4-bromo-3,5-dichlorophenyl)methanol (CID 54366784) is (4-bromo-3,5-dichlorophenyl)methanol.
What is the SMILES notation for (4-bromo-3,5-dichlorophenyl)methanol?
The canonical SMILES for (4-bromo-3,5-dichlorophenyl)methanol is OCc1cc(Cl)c(Br)c(Cl)c1.
What is the InChIKey of (4-bromo-3,5-dichlorophenyl)methanol?
The InChIKey is UQINSWIKRCKCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrCl2O/c8-7-5(9)1-4(3-11)2-6(7)10/h1-2,11H,3H2.
What are the key properties of (4-bromo-3,5-dichlorophenyl)methanol?
(4-bromo-3,5-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 (4-bromo-3,5-dichlorophenyl)methanol is sourced from PubChem (CID 54366784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).