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

C17H18ClFO2 — CID 105376102

IUPAC2-(2-chlorophenyl)-2-[(5-fluoro-2-methylphenyl)methyl]propane-1,3-diol
SMILESCc1ccc(F)cc1CC(CO)(CO)c1ccccc1Cl
InChIInChI=1S/C17H18ClFO2/c1-12-6-7-14(19)8-13(12)9-17(10-20,11-21)15-4-2-3-5-16(15)18/h2-8,20-21H,9-11H2,1H3
InChIKeyAYYYIMNBRFEJLB-UHFFFAOYSA-N
MW308.78 g/mol
LogP3.25
Rot. Bonds5

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

2-(2-chlorophenyl)-2-[(5-fluoro-2-methylphenyl)methyl]propane-1,3-diol (PubChem CID 105376102) has the molecular formula C17H18ClFO2 and a molecular weight of 308.78 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2-[(5-fluoro-2-methylphenyl)methyl]propane-1,3-diol.

Molecular Properties

Compound Name2-(2-chlorophenyl)-2-[(5-fluoro-2-methylphenyl)methyl]propane-1,3-diol
PubChem CID105376102
Molecular FormulaC17H18ClFO2
Molecular Weight308.78 g/mol
Exact Mass308.10
IUPAC Name2-(2-chlorophenyl)-2-[(5-fluoro-2-methylphenyl)methyl]propane-1,3-diol
SMILESCc1ccc(F)cc1CC(CO)(CO)c1ccccc1Cl
InChIInChI=1S/C17H18ClFO2/c1-12-6-7-14(19)8-13(12)9-17(10-20,11-21)15-4-2-3-5-16(15)18/h2-8,20-21H,9-11H2,1H3
InChIKeyAYYYIMNBRFEJLB-UHFFFAOYSA-N
XLogP3.25
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.78
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,5-difluorophenyl)methyl]-2-(2-methylphenyl)propane-1,3-diol
CID 79444639
2-[3-chloro-2-(chloromethyl)-2-(2-methylphenyl)propyl]-4-fluoro-1-methylbenzene
CID 105376120
2-[(2-chloro-5-fluorophenyl)methyl]-2-(2-fluorophenyl)propane-1,3-diol
CID 102621542
2-(2-chlorophenyl)-2-[(2-chlorophenyl)methyl]propane-1,3-diol
CID 79447250
2-[3-bromo-2-(bromomethyl)-2-(2-chlorophenyl)propyl]-1,4-difluorobenzene
CID 79446654
2-[(5-fluoro-2-methylphenyl)methyl]-2-methylpropane-1,3-diol
CID 105376091
2-[(2-chloro-5-fluorophenyl)methyl]-2-phenylbutan-1-ol
CID 102621164
1-chloro-2-[1-chloro-2-(chloromethyl)-3-(2-methylphenyl)propan-2-yl]benzene
CID 79453918
2-[(3-chloro-4-pyridinyl)methyl]-2-(2-methylphenyl)propane-1,3-diol
CID 79450406
2-[(3,4-dimethylphenyl)methyl]-2-(2-fluorophenyl)propane-1,3-diol
CID 79445475
1-(2-chloro-4-fluorophenyl)-2-(2-chlorophenyl)propan-2-ol
CID 65145046
2-[3-chloro-2-(chloromethyl)-2-(3-fluorophenyl)propyl]-4-fluoro-1-methylbenzene
CID 105376123

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-2-[(5-fluoro-2-methylphenyl)methyl]propane-1,3-diol?
The IUPAC name of 2-(2-chlorophenyl)-2-[(5-fluoro-2-methylphenyl)methyl]propane-1,3-diol (CID 105376102) is 2-(2-chlorophenyl)-2-[(5-fluoro-2-methylphenyl)methyl]propane-1,3-diol.
What is the SMILES notation for 2-(2-chlorophenyl)-2-[(5-fluoro-2-methylphenyl)methyl]propane-1,3-diol?
The canonical SMILES for 2-(2-chlorophenyl)-2-[(5-fluoro-2-methylphenyl)methyl]propane-1,3-diol is Cc1ccc(F)cc1CC(CO)(CO)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-2-[(5-fluoro-2-methylphenyl)methyl]propane-1,3-diol?
The InChIKey is AYYYIMNBRFEJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFO2/c1-12-6-7-14(19)8-13(12)9-17(10-20,11-21)15-4-2-3-5-16(15)18/h2-8,20-21H,9-11H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-2-[(5-fluoro-2-methylphenyl)methyl]propane-1,3-diol?
2-(2-chlorophenyl)-2-[(5-fluoro-2-methylphenyl)methyl]propane-1,3-diol has a molecular weight of 308.78 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-2-[(5-fluoro-2-methylphenyl)methyl]propane-1,3-diol is sourced from PubChem (CID 105376102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).