1-(3-bromo-2,6-difluorophenyl)-3-(3-chlorophenyl)propan-2-ol

C15H12BrClF2O — CID 106266378

IUPAC1-(3-bromo-2,6-difluorophenyl)-3-(3-chlorophenyl)propan-2-ol
SMILESOC(Cc1cccc(Cl)c1)Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C15H12BrClF2O/c16-13-4-5-14(18)12(15(13)19)8-11(20)7-9-2-1-3-10(17)6-9/h1-6,11,20H,7-8H2
InChIKeyJSSITMVDVACKJV-UHFFFAOYSA-N
MW361.61 g/mol
LogP4.53
Rot. Bonds4

About 1-(3-bromo-2,6-difluorophenyl)-3-(3-chlorophenyl)propan-2-ol

1-(3-bromo-2,6-difluorophenyl)-3-(3-chlorophenyl)propan-2-ol (PubChem CID 106266378) has the molecular formula C15H12BrClF2O and a molecular weight of 361.61 g/mol. Its IUPAC name is 1-(3-bromo-2,6-difluorophenyl)-3-(3-chlorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-(3-bromo-2,6-difluorophenyl)-3-(3-chlorophenyl)propan-2-ol
PubChem CID106266378
Molecular FormulaC15H12BrClF2O
Molecular Weight361.61 g/mol
Exact Mass359.97
IUPAC Name1-(3-bromo-2,6-difluorophenyl)-3-(3-chlorophenyl)propan-2-ol
SMILESOC(Cc1cccc(Cl)c1)Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C15H12BrClF2O/c16-13-4-5-14(18)12(15(13)19)8-11(20)7-9-2-1-3-10(17)6-9/h1-6,11,20H,7-8H2
InChIKeyJSSITMVDVACKJV-UHFFFAOYSA-N
XLogP4.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.61
LogP ≤ 54.53
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-2,6-difluorophenyl)-3-phenylpropan-2-ol
CID 106265334
1-(3-bromo-2,6-difluorophenyl)-3-(3,4-dichlorophenyl)propan-2-ol
CID 106266420
1-(3-bromo-2,6-difluorophenyl)-3-pyridin-4-ylpropan-2-ol
CID 106266424
1-(3-bromo-2,6-difluorophenyl)-3-(2,3-difluorophenyl)propan-2-ol
CID 106274453
1-bromo-3-[(3-chlorophenyl)methoxymethyl]-2,4-difluorobenzene
CID 114166545
1-(3-bromo-2,6-difluorophenyl)-2-(3-chlorophenyl)ethanamine
CID 106942201
1-(3-bromo-2-chlorophenyl)-2-(3-bromo-2,6-difluorophenyl)ethanol
CID 106274383
1-bromo-3-[3-chloro-2-(3-chlorophenyl)propyl]-2,4-difluorobenzene
CID 106273850
3-(3-bromo-2,6-difluorophenyl)-2-(3-chlorophenyl)propan-1-amine
CID 106271721
1-bromo-3-[2-[(3-bromophenyl)methyl]-3-chloropropyl]-2,4-difluorobenzene
CID 106273782
2-(3-bromo-2,6-difluorophenyl)-1-(2-chloro-3-methylphenyl)ethanol
CID 106274368
1-(3-chlorophenyl)-3-naphthalen-2-ylpropan-2-ol
CID 105076762

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-3-(3-chlorophenyl)propan-2-ol?
The IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-3-(3-chlorophenyl)propan-2-ol (CID 106266378) is 1-(3-bromo-2,6-difluorophenyl)-3-(3-chlorophenyl)propan-2-ol.
What is the SMILES notation for 1-(3-bromo-2,6-difluorophenyl)-3-(3-chlorophenyl)propan-2-ol?
The canonical SMILES for 1-(3-bromo-2,6-difluorophenyl)-3-(3-chlorophenyl)propan-2-ol is OC(Cc1cccc(Cl)c1)Cc1c(F)ccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2,6-difluorophenyl)-3-(3-chlorophenyl)propan-2-ol?
The InChIKey is JSSITMVDVACKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClF2O/c16-13-4-5-14(18)12(15(13)19)8-11(20)7-9-2-1-3-10(17)6-9/h1-6,11,20H,7-8H2.
What are the key properties of 1-(3-bromo-2,6-difluorophenyl)-3-(3-chlorophenyl)propan-2-ol?
1-(3-bromo-2,6-difluorophenyl)-3-(3-chlorophenyl)propan-2-ol has a molecular weight of 361.61 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2,6-difluorophenyl)-3-(3-chlorophenyl)propan-2-ol is sourced from PubChem (CID 106266378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).