(4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-5-chlorophenyl)methanol

C13H7Br2Cl2FO — CID 107955780

IUPAC(4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-5-chlorophenyl)methanol
SMILESOC(c1cc(Cl)cc(Br)c1)c1cc(Cl)c(Br)cc1F
InChIInChI=1S/C13H7Br2Cl2FO/c14-7-1-6(2-8(16)3-7)13(19)9-4-11(17)10(15)5-12(9)18/h1-5,13,19H
InChIKeyYZRAJTGSBOGYIS-UHFFFAOYSA-N
MW428.91 g/mol
LogP5.74
Rot. Bonds2

About (4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-5-chlorophenyl)methanol

(4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-5-chlorophenyl)methanol (PubChem CID 107955780) has the molecular formula C13H7Br2Cl2FO and a molecular weight of 428.91 g/mol. Its IUPAC name is (4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-5-chlorophenyl)methanol.

Molecular Properties

Compound Name(4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-5-chlorophenyl)methanol
PubChem CID107955780
Molecular FormulaC13H7Br2Cl2FO
Molecular Weight428.91 g/mol
Exact Mass425.82
IUPAC Name(4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-5-chlorophenyl)methanol
SMILESOC(c1cc(Cl)cc(Br)c1)c1cc(Cl)c(Br)cc1F
InChIInChI=1S/C13H7Br2Cl2FO/c14-7-1-6(2-8(16)3-7)13(19)9-4-11(17)10(15)5-12(9)18/h1-5,13,19H
InChIKeyYZRAJTGSBOGYIS-UHFFFAOYSA-N
XLogP5.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.91
LogP ≤ 55.74
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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Related Compounds

(4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-4-chlorophenyl)methanol
CID 107991356
(4-bromo-5-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 105399490
(4-bromo-5-chloro-2-fluorophenyl)-(3-fluorophenyl)methanol
CID 105399342
(3-bromo-5-chlorophenyl)-(2-chlorophenyl)methanol
CID 107947286
(3-bromo-5-chlorophenyl)-(2,6-difluorophenyl)methanol
CID 114019455
(4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 105399539
(4-bromo-5-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol
CID 107964399
1,2-bis(3-bromo-5-chlorophenyl)ethane-1,2-diol
CID 139745260
(4-bromo-5-chloro-2-fluorophenyl)-(3-propan-2-yloxyphenyl)methanol
CID 105399544
(4-bromo-5-chloro-2-fluorophenyl)-(3-methylsulfonylphenyl)methanol
CID 105399299
1-(4-bromo-5-chloro-2-fluorophenyl)-1-(3,5-dichlorophenyl)-N-methylmethanamine
CID 105398833
1-(4-bromo-5-chloro-2-fluorophenyl)-2-(4-chlorophenyl)ethanol
CID 105399377

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-5-chlorophenyl)methanol?
The IUPAC name of (4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-5-chlorophenyl)methanol (CID 107955780) is (4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-5-chlorophenyl)methanol.
What is the SMILES notation for (4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-5-chlorophenyl)methanol?
The canonical SMILES for (4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-5-chlorophenyl)methanol is OC(c1cc(Cl)cc(Br)c1)c1cc(Cl)c(Br)cc1F.
What is the InChIKey of (4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-5-chlorophenyl)methanol?
The InChIKey is YZRAJTGSBOGYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Br2Cl2FO/c14-7-1-6(2-8(16)3-7)13(19)9-4-11(17)10(15)5-12(9)18/h1-5,13,19H.
What are the key properties of (4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-5-chlorophenyl)methanol?
(4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-5-chlorophenyl)methanol has a molecular weight of 428.91 g/mol, XLogP of 5.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-5-chlorophenyl)methanol is sourced from PubChem (CID 107955780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).