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

C17H19ClO2 — CID 79450583

IUPAC2-(4-chlorophenyl)-2-[(3-methylphenyl)methyl]propane-1,3-diol
SMILESCc1cccc(CC(CO)(CO)c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H19ClO2/c1-13-3-2-4-14(9-13)10-17(11-19,12-20)15-5-7-16(18)8-6-15/h2-9,19-20H,10-12H2,1H3
InChIKeyITWSYKJOMWXVNF-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.11
Rot. Bonds5

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

2-(4-chlorophenyl)-2-[(3-methylphenyl)methyl]propane-1,3-diol (PubChem CID 79450583) has the molecular formula C17H19ClO2 and a molecular weight of 290.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-[(3-methylphenyl)methyl]propane-1,3-diol.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-[(3-methylphenyl)methyl]propane-1,3-diol
PubChem CID79450583
Molecular FormulaC17H19ClO2
Molecular Weight290.79 g/mol
Exact Mass290.11
IUPAC Name2-(4-chlorophenyl)-2-[(3-methylphenyl)methyl]propane-1,3-diol
SMILESCc1cccc(CC(CO)(CO)c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H19ClO2/c1-13-3-2-4-14(9-13)10-17(11-19,12-20)15-5-7-16(18)8-6-15/h2-9,19-20H,10-12H2,1H3
InChIKeyITWSYKJOMWXVNF-UHFFFAOYSA-N
XLogP3.11
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-chlorophenyl)methyl]-2-(4-methylphenyl)propane-1,3-diol
CID 79449871
2-(4-chlorophenyl)-1-(3-methylphenyl)propan-2-ol
CID 60799213
2-(4-chlorophenyl)-2-[(3,4-difluorophenyl)methyl]propane-1,3-diol
CID 82927101
2-[(3-bromo-4-fluorophenyl)methyl]-2-(3-methylphenyl)propane-1,3-diol
CID 79444855
2-methyl-2-[(3-methylphenyl)methyl]propane-1,3-diol
CID 79001727
1-chloro-3-[3-chloro-2-(chloromethyl)-2-(4-methylphenyl)propyl]benzene
CID 79447991
2-[(5-chloro-2-fluorophenyl)methyl]-2-(4-methylphenyl)propane-1,3-diol
CID 103051451
1-[3-chloro-2-(chloromethyl)-2-(3-fluorophenyl)propyl]-3-methylbenzene
CID 79453748
2-(4-chlorophenyl)-2-[(4-fluoro-2-methylphenyl)methyl]propane-1,3-diol
CID 114349965
2-[(3-methylphenyl)methyl]-2-propan-2-ylpropane-1,3-diol
CID 79450470
2-(aminomethyl)-3-(3-bromophenyl)-2-(3-methylphenyl)propan-1-ol
CID 106507304
1-bromo-3-[3-chloro-2-(chloromethyl)-2-(4-chlorophenyl)propyl]benzene
CID 79453552

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-[(3-methylphenyl)methyl]propane-1,3-diol?
The IUPAC name of 2-(4-chlorophenyl)-2-[(3-methylphenyl)methyl]propane-1,3-diol (CID 79450583) is 2-(4-chlorophenyl)-2-[(3-methylphenyl)methyl]propane-1,3-diol.
What is the SMILES notation for 2-(4-chlorophenyl)-2-[(3-methylphenyl)methyl]propane-1,3-diol?
The canonical SMILES for 2-(4-chlorophenyl)-2-[(3-methylphenyl)methyl]propane-1,3-diol is Cc1cccc(CC(CO)(CO)c2ccc(Cl)cc2)c1.
What is the InChIKey of 2-(4-chlorophenyl)-2-[(3-methylphenyl)methyl]propane-1,3-diol?
The InChIKey is ITWSYKJOMWXVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClO2/c1-13-3-2-4-14(9-13)10-17(11-19,12-20)15-5-7-16(18)8-6-15/h2-9,19-20H,10-12H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-2-[(3-methylphenyl)methyl]propane-1,3-diol?
2-(4-chlorophenyl)-2-[(3-methylphenyl)methyl]propane-1,3-diol has a molecular weight of 290.79 g/mol, XLogP of 3.11, 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-[(3-methylphenyl)methyl]propane-1,3-diol is sourced from PubChem (CID 79450583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).