2-[(2,5-difluorophenyl)methyl]-2-(2-methylphenyl)propane-1,3-diol

C17H18F2O2 — CID 79444639

IUPAC2-[(2,5-difluorophenyl)methyl]-2-(2-methylphenyl)propane-1,3-diol
SMILESCc1ccccc1C(CO)(CO)Cc1cc(F)ccc1F
InChIInChI=1S/C17H18F2O2/c1-12-4-2-3-5-15(12)17(10-20,11-21)9-13-8-14(18)6-7-16(13)19/h2-8,20-21H,9-11H2,1H3
InChIKeyJQCXUMUFPCIBKS-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.74
Rot. Bonds5

About 2-[(2,5-difluorophenyl)methyl]-2-(2-methylphenyl)propane-1,3-diol

2-[(2,5-difluorophenyl)methyl]-2-(2-methylphenyl)propane-1,3-diol (PubChem CID 79444639) has the molecular formula C17H18F2O2 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-[(2,5-difluorophenyl)methyl]-2-(2-methylphenyl)propane-1,3-diol.

Molecular Properties

Compound Name2-[(2,5-difluorophenyl)methyl]-2-(2-methylphenyl)propane-1,3-diol
PubChem CID79444639
Molecular FormulaC17H18F2O2
Molecular Weight292.33 g/mol
Exact Mass292.13
IUPAC Name2-[(2,5-difluorophenyl)methyl]-2-(2-methylphenyl)propane-1,3-diol
SMILESCc1ccccc1C(CO)(CO)Cc1cc(F)ccc1F
InChIInChI=1S/C17H18F2O2/c1-12-4-2-3-5-15(12)17(10-20,11-21)9-13-8-14(18)6-7-16(13)19/h2-8,20-21H,9-11H2,1H3
InChIKeyJQCXUMUFPCIBKS-UHFFFAOYSA-N
XLogP2.74
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)-2-[(5-fluoro-2-methylphenyl)methyl]propane-1,3-diol
CID 105376102
2-[3-chloro-2-(chloromethyl)-2-(2-methylphenyl)propyl]-4-fluoro-1-methylbenzene
CID 105376120
2-[(2,5-difluorophenyl)methyl]-2-(4-fluorophenyl)propane-1,3-diol
CID 79444671
2-[(2-chloro-5-fluorophenyl)methyl]-2-(2-fluorophenyl)propane-1,3-diol
CID 102621542
2-[(4-chlorophenyl)methyl]-2-(2-methylphenyl)propane-1,3-diol
CID 79450494
2-(4-chlorophenyl)-2-[(2,5-difluorophenyl)methyl]propane-1,3-diol
CID 79444445
2-[(3,4-dimethylphenyl)methyl]-2-(2-fluorophenyl)propane-1,3-diol
CID 79445475
2-[(2,5-difluorophenyl)methyl]-2-ethylbutan-1-ol
CID 66059134
2-[3-bromo-2-(bromomethyl)-2-(2-chlorophenyl)propyl]-1,4-difluorobenzene
CID 79446654
1-(2,4-difluorophenyl)-2-(2-methylphenyl)propan-2-ol
CID 62198136
2-[3-bromo-2-(bromomethyl)-2-phenylpropyl]-1,4-difluorobenzene
CID 79455643
2-(4-chlorophenyl)-2-[(4-fluoro-2-methylphenyl)methyl]propane-1,3-diol
CID 114349965

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-difluorophenyl)methyl]-2-(2-methylphenyl)propane-1,3-diol?
The IUPAC name of 2-[(2,5-difluorophenyl)methyl]-2-(2-methylphenyl)propane-1,3-diol (CID 79444639) is 2-[(2,5-difluorophenyl)methyl]-2-(2-methylphenyl)propane-1,3-diol.
What is the SMILES notation for 2-[(2,5-difluorophenyl)methyl]-2-(2-methylphenyl)propane-1,3-diol?
The canonical SMILES for 2-[(2,5-difluorophenyl)methyl]-2-(2-methylphenyl)propane-1,3-diol is Cc1ccccc1C(CO)(CO)Cc1cc(F)ccc1F.
What is the InChIKey of 2-[(2,5-difluorophenyl)methyl]-2-(2-methylphenyl)propane-1,3-diol?
The InChIKey is JQCXUMUFPCIBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2O2/c1-12-4-2-3-5-15(12)17(10-20,11-21)9-13-8-14(18)6-7-16(13)19/h2-8,20-21H,9-11H2,1H3.
What are the key properties of 2-[(2,5-difluorophenyl)methyl]-2-(2-methylphenyl)propane-1,3-diol?
2-[(2,5-difluorophenyl)methyl]-2-(2-methylphenyl)propane-1,3-diol has a molecular weight of 292.33 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-difluorophenyl)methyl]-2-(2-methylphenyl)propane-1,3-diol is sourced from PubChem (CID 79444639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).