2-[(3,5-difluorophenyl)methyl]-2-(4-methylphenyl)propane-1,3-diol

C17H18F2O2 — CID 105411070

IUPAC2-[(3,5-difluorophenyl)methyl]-2-(4-methylphenyl)propane-1,3-diol
SMILESCc1ccc(C(CO)(CO)Cc2cc(F)cc(F)c2)cc1
InChIInChI=1S/C17H18F2O2/c1-12-2-4-14(5-3-12)17(10-20,11-21)9-13-6-15(18)8-16(19)7-13/h2-8,20-21H,9-11H2,1H3
InChIKeyWOGUMEWJYSLKCS-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.74
Rot. Bonds5

About 2-[(3,5-difluorophenyl)methyl]-2-(4-methylphenyl)propane-1,3-diol

2-[(3,5-difluorophenyl)methyl]-2-(4-methylphenyl)propane-1,3-diol (PubChem CID 105411070) has the molecular formula C17H18F2O2 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-[(3,5-difluorophenyl)methyl]-2-(4-methylphenyl)propane-1,3-diol.

Molecular Properties

Compound Name2-[(3,5-difluorophenyl)methyl]-2-(4-methylphenyl)propane-1,3-diol
PubChem CID105411070
Molecular FormulaC17H18F2O2
Molecular Weight292.33 g/mol
Exact Mass292.13
IUPAC Name2-[(3,5-difluorophenyl)methyl]-2-(4-methylphenyl)propane-1,3-diol
SMILESCc1ccc(C(CO)(CO)Cc2cc(F)cc(F)c2)cc1
InChIInChI=1S/C17H18F2O2/c1-12-2-4-14(5-3-12)17(10-20,11-21)9-13-6-15(18)8-16(19)7-13/h2-8,20-21H,9-11H2,1H3
InChIKeyWOGUMEWJYSLKCS-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-[(3,5-difluorophenyl)methyl]-2-phenylpropane-1,3-diol
CID 105411067
1-(3,5-difluorophenyl)-2-(4-methylphenyl)propan-2-ol
CID 105402436
2-(aminomethyl)-2-(3,5-difluorophenyl)-3-(4-methylphenyl)propan-1-ol
CID 106506993
2-(aminomethyl)-3-(3,5-difluorophenyl)-2-(3-methylphenyl)propan-1-ol
CID 106507369
2-[(3-chlorophenyl)methyl]-2-(4-methylphenyl)propane-1,3-diol
CID 79449871
2-[(5-chloro-2-fluorophenyl)methyl]-2-(4-methylphenyl)propane-1,3-diol
CID 103051451
2-[(2,5-dimethylphenyl)methyl]-2-(4-methylphenyl)propane-1,3-diol
CID 79444429
2-(4-chlorophenyl)-2-[(3-methylphenyl)methyl]propane-1,3-diol
CID 79450583
2-[(3-bromophenyl)methyl]-2-(4-fluorophenyl)propane-1,3-diol
CID 79450772
2-(4-chlorophenyl)-2-[(3,4-difluorophenyl)methyl]propane-1,3-diol
CID 82927101
2-(aminomethyl)-3-(3-bromo-5-fluorophenyl)-2-phenylpropan-1-ol
CID 106508102
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-[(3,5-difluorophenyl)methyl]-2-(4-methylphenyl)propane-1,3-diol?
The IUPAC name of 2-[(3,5-difluorophenyl)methyl]-2-(4-methylphenyl)propane-1,3-diol (CID 105411070) is 2-[(3,5-difluorophenyl)methyl]-2-(4-methylphenyl)propane-1,3-diol.
What is the SMILES notation for 2-[(3,5-difluorophenyl)methyl]-2-(4-methylphenyl)propane-1,3-diol?
The canonical SMILES for 2-[(3,5-difluorophenyl)methyl]-2-(4-methylphenyl)propane-1,3-diol is Cc1ccc(C(CO)(CO)Cc2cc(F)cc(F)c2)cc1.
What is the InChIKey of 2-[(3,5-difluorophenyl)methyl]-2-(4-methylphenyl)propane-1,3-diol?
The InChIKey is WOGUMEWJYSLKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2O2/c1-12-2-4-14(5-3-12)17(10-20,11-21)9-13-6-15(18)8-16(19)7-13/h2-8,20-21H,9-11H2,1H3.
What are the key properties of 2-[(3,5-difluorophenyl)methyl]-2-(4-methylphenyl)propane-1,3-diol?
2-[(3,5-difluorophenyl)methyl]-2-(4-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-[(3,5-difluorophenyl)methyl]-2-(4-methylphenyl)propane-1,3-diol is sourced from PubChem (CID 105411070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).