2-(3-bromo-2,6-difluorophenyl)-1-(2-chloro-3-methylphenyl)ethanol

C15H12BrClF2O — CID 106274368

IUPAC2-(3-bromo-2,6-difluorophenyl)-1-(2-chloro-3-methylphenyl)ethanol
SMILESCc1cccc(C(O)Cc2c(F)ccc(Br)c2F)c1Cl
InChIInChI=1S/C15H12BrClF2O/c1-8-3-2-4-9(14(8)17)13(20)7-10-12(18)6-5-11(16)15(10)19/h2-6,13,20H,7H2,1H3
InChIKeyMQMMPQRGPROJET-UHFFFAOYSA-N
MW361.61 g/mol
LogP4.97
Rot. Bonds3

About 2-(3-bromo-2,6-difluorophenyl)-1-(2-chloro-3-methylphenyl)ethanol

2-(3-bromo-2,6-difluorophenyl)-1-(2-chloro-3-methylphenyl)ethanol (PubChem CID 106274368) has the molecular formula C15H12BrClF2O and a molecular weight of 361.61 g/mol. Its IUPAC name is 2-(3-bromo-2,6-difluorophenyl)-1-(2-chloro-3-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(3-bromo-2,6-difluorophenyl)-1-(2-chloro-3-methylphenyl)ethanol
PubChem CID106274368
Molecular FormulaC15H12BrClF2O
Molecular Weight361.61 g/mol
Exact Mass359.97
IUPAC Name2-(3-bromo-2,6-difluorophenyl)-1-(2-chloro-3-methylphenyl)ethanol
SMILESCc1cccc(C(O)Cc2c(F)ccc(Br)c2F)c1Cl
InChIInChI=1S/C15H12BrClF2O/c1-8-3-2-4-9(14(8)17)13(20)7-10-12(18)6-5-11(16)15(10)19/h2-6,13,20H,7H2,1H3
InChIKeyMQMMPQRGPROJET-UHFFFAOYSA-N
XLogP4.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.61
LogP ≤ 54.97
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

1-(3-bromo-2-chlorophenyl)-2-(3-bromo-2,6-difluorophenyl)ethanol
CID 106274383
2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-2-methylphenyl)ethanol
CID 106274418
2-(3-bromo-2,6-difluorophenyl)-1-(2-bromo-3-methylphenyl)-N-methylethanamine
CID 106273943
2-(3-bromo-2,6-difluorophenyl)-1-(2-iodo-3-methylphenyl)-N-methylethanamine
CID 106274245
2-(4-chloro-2-fluorophenyl)-1-(2-chloro-3-methylphenyl)ethanol
CID 115839825
2-(3-bromo-2,6-difluorophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 106266939
2-(2-chloro-6-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanol
CID 81478146
2-(3-bromo-2,6-difluorophenyl)-1-(2,3-dimethylphenyl)ethanamine
CID 106273742
2-(3-bromo-5-fluorophenyl)-1-(2-chloro-3-methylphenyl)ethanol
CID 115822817
1-(3-bromo-2,6-difluorophenyl)-3-(3-chlorophenyl)propan-2-ol
CID 106266378
[(3-bromo-2,6-difluorophenyl)-(2-chloro-3-methylphenyl)methyl]hydrazine
CID 106945494
1-(3-bromo-2,6-difluorophenyl)-3-(2,3-difluorophenyl)propan-2-ol
CID 106274453

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-1-(2-chloro-3-methylphenyl)ethanol?
The IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-1-(2-chloro-3-methylphenyl)ethanol (CID 106274368) is 2-(3-bromo-2,6-difluorophenyl)-1-(2-chloro-3-methylphenyl)ethanol.
What is the SMILES notation for 2-(3-bromo-2,6-difluorophenyl)-1-(2-chloro-3-methylphenyl)ethanol?
The canonical SMILES for 2-(3-bromo-2,6-difluorophenyl)-1-(2-chloro-3-methylphenyl)ethanol is Cc1cccc(C(O)Cc2c(F)ccc(Br)c2F)c1Cl.
What is the InChIKey of 2-(3-bromo-2,6-difluorophenyl)-1-(2-chloro-3-methylphenyl)ethanol?
The InChIKey is MQMMPQRGPROJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClF2O/c1-8-3-2-4-9(14(8)17)13(20)7-10-12(18)6-5-11(16)15(10)19/h2-6,13,20H,7H2,1H3.
What are the key properties of 2-(3-bromo-2,6-difluorophenyl)-1-(2-chloro-3-methylphenyl)ethanol?
2-(3-bromo-2,6-difluorophenyl)-1-(2-chloro-3-methylphenyl)ethanol has a molecular weight of 361.61 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2,6-difluorophenyl)-1-(2-chloro-3-methylphenyl)ethanol is sourced from PubChem (CID 106274368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).