2-(4-chlorophenyl)-2-[(4-fluoro-2-methylphenyl)methyl]propane-1,3-diol

C17H18ClFO2 — CID 114349965

IUPAC2-(4-chlorophenyl)-2-[(4-fluoro-2-methylphenyl)methyl]propane-1,3-diol
SMILESCc1cc(F)ccc1CC(CO)(CO)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClFO2/c1-12-8-16(19)7-2-13(12)9-17(10-20,11-21)14-3-5-15(18)6-4-14/h2-8,20-21H,9-11H2,1H3
InChIKeyXWJICIHWMASCTG-UHFFFAOYSA-N
MW308.78 g/mol
LogP3.25
Rot. Bonds5

About 2-(4-chlorophenyl)-2-[(4-fluoro-2-methylphenyl)methyl]propane-1,3-diol

2-(4-chlorophenyl)-2-[(4-fluoro-2-methylphenyl)methyl]propane-1,3-diol (PubChem CID 114349965) has the molecular formula C17H18ClFO2 and a molecular weight of 308.78 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-[(4-fluoro-2-methylphenyl)methyl]propane-1,3-diol.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-[(4-fluoro-2-methylphenyl)methyl]propane-1,3-diol
PubChem CID114349965
Molecular FormulaC17H18ClFO2
Molecular Weight308.78 g/mol
Exact Mass308.10
IUPAC Name2-(4-chlorophenyl)-2-[(4-fluoro-2-methylphenyl)methyl]propane-1,3-diol
SMILESCc1cc(F)ccc1CC(CO)(CO)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClFO2/c1-12-8-16(19)7-2-13(12)9-17(10-20,11-21)14-3-5-15(18)6-4-14/h2-8,20-21H,9-11H2,1H3
InChIKeyXWJICIHWMASCTG-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-(4-chlorophenyl)-2-[(2,5-difluorophenyl)methyl]propane-1,3-diol
CID 79444445
2-[(2,5-difluorophenyl)methyl]-2-(4-fluorophenyl)propane-1,3-diol
CID 79444671
2-[(5-chloro-2-fluorophenyl)methyl]-2-(4-methylphenyl)propane-1,3-diol
CID 103051451
2-[(4-bromo-2-fluorophenyl)methyl]-2-(4-chlorophenyl)propane-1,3-diol
CID 79444446
1-[3-bromo-2-(bromomethyl)-2-(4-methylphenyl)propyl]-4-fluoro-2-methylbenzene
CID 114350007
2-(4-chlorophenyl)-2-[(3,4-difluorophenyl)methyl]propane-1,3-diol
CID 82927101
2-bromo-1-[3-chloro-2-(chloromethyl)-2-(4-chlorophenyl)propyl]-4-fluorobenzene
CID 79446810
2-[(2,5-difluorophenyl)methyl]-2-(2-methylphenyl)propane-1,3-diol
CID 79444639
2-(4-chlorophenyl)-2-[(3-methylphenyl)methyl]propane-1,3-diol
CID 79450583
1-(4-chlorophenyl)-1-(4-fluoro-2-methylphenyl)ethanol
CID 55116404
1-(4-fluoro-2-methylphenyl)-2-methylpropan-2-amine
CID 22063499
3-(4-fluoro-2-methylphenyl)-2,2-dimethylpropanenitrile
CID 114349707

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-[(4-fluoro-2-methylphenyl)methyl]propane-1,3-diol?
The IUPAC name of 2-(4-chlorophenyl)-2-[(4-fluoro-2-methylphenyl)methyl]propane-1,3-diol (CID 114349965) is 2-(4-chlorophenyl)-2-[(4-fluoro-2-methylphenyl)methyl]propane-1,3-diol.
What is the SMILES notation for 2-(4-chlorophenyl)-2-[(4-fluoro-2-methylphenyl)methyl]propane-1,3-diol?
The canonical SMILES for 2-(4-chlorophenyl)-2-[(4-fluoro-2-methylphenyl)methyl]propane-1,3-diol is Cc1cc(F)ccc1CC(CO)(CO)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-2-[(4-fluoro-2-methylphenyl)methyl]propane-1,3-diol?
The InChIKey is XWJICIHWMASCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFO2/c1-12-8-16(19)7-2-13(12)9-17(10-20,11-21)14-3-5-15(18)6-4-14/h2-8,20-21H,9-11H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-2-[(4-fluoro-2-methylphenyl)methyl]propane-1,3-diol?
2-(4-chlorophenyl)-2-[(4-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-(4-chlorophenyl)-2-[(4-fluoro-2-methylphenyl)methyl]propane-1,3-diol is sourced from PubChem (CID 114349965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).