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

C13H7BrCl2F2O — CID 107991378

IUPAC(2-bromo-4-chlorophenyl)-(2-chloro-4,5-difluorophenyl)methanol
SMILESOC(c1cc(F)c(F)cc1Cl)c1ccc(Cl)cc1Br
InChIInChI=1S/C13H7BrCl2F2O/c14-9-3-6(15)1-2-7(9)13(19)8-4-11(17)12(18)5-10(8)16/h1-5,13,19H
InChIKeyOGCZMKPZQTUSEH-UHFFFAOYSA-N
MW368.00 g/mol
LogP5.12
Rot. Bonds2

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

(2-bromo-4-chlorophenyl)-(2-chloro-4,5-difluorophenyl)methanol (PubChem CID 107991378) has the molecular formula C13H7BrCl2F2O and a molecular weight of 368.00 g/mol. Its IUPAC name is (2-bromo-4-chlorophenyl)-(2-chloro-4,5-difluorophenyl)methanol.

Molecular Properties

Compound Name(2-bromo-4-chlorophenyl)-(2-chloro-4,5-difluorophenyl)methanol
PubChem CID107991378
Molecular FormulaC13H7BrCl2F2O
Molecular Weight368.00 g/mol
Exact Mass365.90
IUPAC Name(2-bromo-4-chlorophenyl)-(2-chloro-4,5-difluorophenyl)methanol
SMILESOC(c1cc(F)c(F)cc1Cl)c1ccc(Cl)cc1Br
InChIInChI=1S/C13H7BrCl2F2O/c14-9-3-6(15)1-2-7(9)13(19)8-4-11(17)12(18)5-10(8)16/h1-5,13,19H
InChIKeyOGCZMKPZQTUSEH-UHFFFAOYSA-N
XLogP5.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.00
LogP ≤ 55.12
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

(2-chloro-4,5-difluorophenyl)-(2,3,4-trifluorophenyl)methanol
CID 107476982
(2-bromo-4-fluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanol
CID 81045240
(2-bromo-4-chlorophenyl)-(2,4-difluoro-5-methylphenyl)methanol
CID 107991288
(2-bromo-4-chlorophenyl)-(2,5-dibromophenyl)methanol
CID 114024842
(2-bromo-4-chlorophenyl)-(2,5-dibromo-4-methylphenyl)methanol
CID 107991315
(5-bromofuran-2-yl)-(2-chloro-4,5-difluorophenyl)methanol
CID 107477162
(2-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanol
CID 61082589
1-[bromo-(2-chloro-4,5-difluorophenyl)methyl]-2,3,4-trifluorobenzene
CID 107477574
(2-chloro-5-fluorophenyl)-(4-chloro-2-fluorophenyl)methanol
CID 105394068
(2-bromo-4-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanol
CID 107991354
(2-bromo-4-chlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707425
2-bromo-1-[bromo-(3,4-difluorophenyl)methyl]-4-chlorobenzene
CID 114024911

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-chlorophenyl)-(2-chloro-4,5-difluorophenyl)methanol?
The IUPAC name of (2-bromo-4-chlorophenyl)-(2-chloro-4,5-difluorophenyl)methanol (CID 107991378) is (2-bromo-4-chlorophenyl)-(2-chloro-4,5-difluorophenyl)methanol.
What is the SMILES notation for (2-bromo-4-chlorophenyl)-(2-chloro-4,5-difluorophenyl)methanol?
The canonical SMILES for (2-bromo-4-chlorophenyl)-(2-chloro-4,5-difluorophenyl)methanol is OC(c1cc(F)c(F)cc1Cl)c1ccc(Cl)cc1Br.
What is the InChIKey of (2-bromo-4-chlorophenyl)-(2-chloro-4,5-difluorophenyl)methanol?
The InChIKey is OGCZMKPZQTUSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrCl2F2O/c14-9-3-6(15)1-2-7(9)13(19)8-4-11(17)12(18)5-10(8)16/h1-5,13,19H.
What are the key properties of (2-bromo-4-chlorophenyl)-(2-chloro-4,5-difluorophenyl)methanol?
(2-bromo-4-chlorophenyl)-(2-chloro-4,5-difluorophenyl)methanol has a molecular weight of 368.00 g/mol, XLogP of 5.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-chlorophenyl)-(2-chloro-4,5-difluorophenyl)methanol is sourced from PubChem (CID 107991378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).