2-[(3-bromo-2,6-difluorophenyl)methyl]-2-phenylpropane-1,3-diol

C16H15BrF2O2 — CID 106273888

IUPAC2-[(3-bromo-2,6-difluorophenyl)methyl]-2-phenylpropane-1,3-diol
SMILESOCC(CO)(Cc1c(F)ccc(Br)c1F)c1ccccc1
InChIInChI=1S/C16H15BrF2O2/c17-13-6-7-14(18)12(15(13)19)8-16(9-20,10-21)11-4-2-1-3-5-11/h1-7,20-21H,8-10H2
InChIKeyWOLCNGXHDHGCJG-UHFFFAOYSA-N
MW357.19 g/mol
LogP3.19
Rot. Bonds5

About 2-[(3-bromo-2,6-difluorophenyl)methyl]-2-phenylpropane-1,3-diol

2-[(3-bromo-2,6-difluorophenyl)methyl]-2-phenylpropane-1,3-diol (PubChem CID 106273888) has the molecular formula C16H15BrF2O2 and a molecular weight of 357.19 g/mol. Its IUPAC name is 2-[(3-bromo-2,6-difluorophenyl)methyl]-2-phenylpropane-1,3-diol.

Molecular Properties

Compound Name2-[(3-bromo-2,6-difluorophenyl)methyl]-2-phenylpropane-1,3-diol
PubChem CID106273888
Molecular FormulaC16H15BrF2O2
Molecular Weight357.19 g/mol
Exact Mass356.02
IUPAC Name2-[(3-bromo-2,6-difluorophenyl)methyl]-2-phenylpropane-1,3-diol
SMILESOCC(CO)(Cc1c(F)ccc(Br)c1F)c1ccccc1
InChIInChI=1S/C16H15BrF2O2/c17-13-6-7-14(18)12(15(13)19)8-16(9-20,10-21)11-4-2-1-3-5-11/h1-7,20-21H,8-10H2
InChIKeyWOLCNGXHDHGCJG-UHFFFAOYSA-N
XLogP3.19
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.19
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-bromo-2,6-difluorophenyl)methylamino]-2-phenylpropan-1-ol
CID 106263794
2-[(3-bromo-2,6-difluorophenyl)methyl]-2-propan-2-ylpropane-1,3-diol
CID 114166996
2-[(3-bromo-2,6-difluorophenyl)methyl]-2-propylpropane-1,3-diol
CID 106273886
2-(aminomethyl)-3-(3-bromo-2,6-difluorophenyl)-2-methylpropan-1-ol
CID 106272229
2-(aminomethyl)-3-(3-bromo-4-fluorophenyl)-2-phenylpropan-1-ol
CID 106508120
1-(3-bromo-2,6-difluorophenyl)-2-(2-fluorophenyl)propan-2-ol
CID 106265089
3-[(3-bromo-2,6-difluorophenyl)methyl]pentan-3-ol
CID 106265112
2-[(3,5-difluorophenyl)methyl]-2-phenylpropane-1,3-diol
CID 105411067
1-(3-bromo-2,6-difluorophenyl)-2-(2-bromophenyl)propan-2-amine
CID 106265824
1-(3-bromo-2,6-difluorophenyl)-3-phenylpropan-2-ol
CID 106265334
2-[(3-bromo-4-fluorophenyl)methyl]-2-(4-bromophenyl)propane-1,3-diol
CID 79445490
1-(3-bromo-2,6-difluorophenyl)-3-methoxy-2-methylpropan-2-ol
CID 106265143

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-2,6-difluorophenyl)methyl]-2-phenylpropane-1,3-diol?
The IUPAC name of 2-[(3-bromo-2,6-difluorophenyl)methyl]-2-phenylpropane-1,3-diol (CID 106273888) is 2-[(3-bromo-2,6-difluorophenyl)methyl]-2-phenylpropane-1,3-diol.
What is the SMILES notation for 2-[(3-bromo-2,6-difluorophenyl)methyl]-2-phenylpropane-1,3-diol?
The canonical SMILES for 2-[(3-bromo-2,6-difluorophenyl)methyl]-2-phenylpropane-1,3-diol is OCC(CO)(Cc1c(F)ccc(Br)c1F)c1ccccc1.
What is the InChIKey of 2-[(3-bromo-2,6-difluorophenyl)methyl]-2-phenylpropane-1,3-diol?
The InChIKey is WOLCNGXHDHGCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrF2O2/c17-13-6-7-14(18)12(15(13)19)8-16(9-20,10-21)11-4-2-1-3-5-11/h1-7,20-21H,8-10H2.
What are the key properties of 2-[(3-bromo-2,6-difluorophenyl)methyl]-2-phenylpropane-1,3-diol?
2-[(3-bromo-2,6-difluorophenyl)methyl]-2-phenylpropane-1,3-diol has a molecular weight of 357.19 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-2,6-difluorophenyl)methyl]-2-phenylpropane-1,3-diol is sourced from PubChem (CID 106273888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).