(5-bromo-3-chloro-2,4-difluorophenyl)methanol

C7H4BrClF2O — CID 102171552

IUPAC(5-bromo-3-chloro-2,4-difluorophenyl)methanol
SMILESOCc1cc(Br)c(F)c(Cl)c1F
InChIInChI=1S/C7H4BrClF2O/c8-4-1-3(2-12)6(10)5(9)7(4)11/h1,12H,2H2
InChIKeyIGVMKELKHOMMHX-UHFFFAOYSA-N
MW257.46 g/mol
LogP2.87
Rot. Bonds1

About (5-bromo-3-chloro-2,4-difluorophenyl)methanol

(5-bromo-3-chloro-2,4-difluorophenyl)methanol (PubChem CID 102171552) has the molecular formula C7H4BrClF2O and a molecular weight of 257.46 g/mol. Its IUPAC name is (5-bromo-3-chloro-2,4-difluorophenyl)methanol.

Molecular Properties

Compound Name(5-bromo-3-chloro-2,4-difluorophenyl)methanol
PubChem CID102171552
Molecular FormulaC7H4BrClF2O
Molecular Weight257.46 g/mol
Exact Mass255.91
IUPAC Name(5-bromo-3-chloro-2,4-difluorophenyl)methanol
SMILESOCc1cc(Br)c(F)c(Cl)c1F
InChIInChI=1S/C7H4BrClF2O/c8-4-1-3(2-12)6(10)5(9)7(4)11/h1,12H,2H2
InChIKeyIGVMKELKHOMMHX-UHFFFAOYSA-N
XLogP2.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.46
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze (5-bromo-3-chloro-2,4-difluorophenyl)methanol 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

(4-bromo-2-chloro-3-fluorophenyl)methanol
CID 117351692
(3-bromo-2,5-difluorophenyl)methanol
CID 66657412
(3-bromo-2-(19F)fluoro-5-methylphenyl)methanol
CID 101070863
1-bromo-3-chloro-2,4,5-trifluorobenzene
CID 14978107
4-bromo-2-fluoro-6-(hydroxymethyl)benzene-1,3-diol
CID 84798374
(4,5-dichloro-2-fluoro-3-methylphenyl)methanol
CID 163198260
1,4-dibromo-3-chloro-2,5-difluorobenzene
CID 118819170
(2-bromo-4,5-dichlorophenyl)methanol
CID 68615356
6-amino-4-bromo-2-chloro-3-fluorophenol
CID 170170778
3-chloro-1,2,4-trifluoro-5-(fluoromethyl)benzene
CID 151451275
1,2-dibromo-5-(chloromethyl)-3,4-difluorobenzene
CID 130877169
(2-bromo-3,4,5-trifluorophenyl)methanol
CID 89016097

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-chloro-2,4-difluorophenyl)methanol?
The IUPAC name of (5-bromo-3-chloro-2,4-difluorophenyl)methanol (CID 102171552) is (5-bromo-3-chloro-2,4-difluorophenyl)methanol.
What is the SMILES notation for (5-bromo-3-chloro-2,4-difluorophenyl)methanol?
The canonical SMILES for (5-bromo-3-chloro-2,4-difluorophenyl)methanol is OCc1cc(Br)c(F)c(Cl)c1F.
What is the InChIKey of (5-bromo-3-chloro-2,4-difluorophenyl)methanol?
The InChIKey is IGVMKELKHOMMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrClF2O/c8-4-1-3(2-12)6(10)5(9)7(4)11/h1,12H,2H2.
What are the key properties of (5-bromo-3-chloro-2,4-difluorophenyl)methanol?
(5-bromo-3-chloro-2,4-difluorophenyl)methanol has a molecular weight of 257.46 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-chloro-2,4-difluorophenyl)methanol is sourced from PubChem (CID 102171552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).