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

C17H19ClO2 — CID 79450494

IUPAC2-[(4-chlorophenyl)methyl]-2-(2-methylphenyl)propane-1,3-diol
SMILESCc1ccccc1C(CO)(CO)Cc1ccc(Cl)cc1
InChIInChI=1S/C17H19ClO2/c1-13-4-2-3-5-16(13)17(11-19,12-20)10-14-6-8-15(18)9-7-14/h2-9,19-20H,10-12H2,1H3
InChIKeyIBKCGOWOXIXLIK-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.11
Rot. Bonds5

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

2-[(4-chlorophenyl)methyl]-2-(2-methylphenyl)propane-1,3-diol (PubChem CID 79450494) has the molecular formula C17H19ClO2 and a molecular weight of 290.79 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-2-(2-methylphenyl)propane-1,3-diol.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-2-(2-methylphenyl)propane-1,3-diol
PubChem CID79450494
Molecular FormulaC17H19ClO2
Molecular Weight290.79 g/mol
Exact Mass290.11
IUPAC Name2-[(4-chlorophenyl)methyl]-2-(2-methylphenyl)propane-1,3-diol
SMILESCc1ccccc1C(CO)(CO)Cc1ccc(Cl)cc1
InChIInChI=1S/C17H19ClO2/c1-13-4-2-3-5-16(13)17(11-19,12-20)10-14-6-8-15(18)9-7-14/h2-9,19-20H,10-12H2,1H3
InChIKeyIBKCGOWOXIXLIK-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-(aminomethyl)-3-(3-chlorophenyl)-2-(2-methylphenyl)propan-1-ol
CID 106506068
2-[(2,5-difluorophenyl)methyl]-2-(2-methylphenyl)propane-1,3-diol
CID 79444639
2-[(3,4-dimethylphenyl)methyl]-2-(2-fluorophenyl)propane-1,3-diol
CID 79445475
2-[(3-chloro-4-pyridinyl)methyl]-2-(2-methylphenyl)propane-1,3-diol
CID 79450406
2-[(1-ethylpyrazol-4-yl)methyl]-2-(2-methylphenyl)propane-1,3-diol
CID 79450944
2-(aminomethyl)-3-(2-chloro-6-fluorophenyl)-2-(2-methylphenyl)propan-1-ol
CID 106506065
2-(4-chlorophenyl)-2-[(3-methylphenyl)methyl]propane-1,3-diol
CID 79450583
2-(2-ethylsulfanylethyl)-2-(2-methylphenyl)propane-1,3-diol
CID 113474734
2-[(4-chlorophenyl)methyl]-2-fluoropropane-1,3-diol
CID 122239719
2-(2-methylphenyl)-2-[(1-methyltriazol-4-yl)methyl]propane-1,3-diol
CID 107058399
2-(2-bromophenyl)-2-[(4-fluorophenyl)methyl]propane-1,3-diol
CID 79448193
2-(3-methylbutyl)-2-(2-methylphenyl)propane-1,3-diol
CID 79449876

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-2-(2-methylphenyl)propane-1,3-diol?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-2-(2-methylphenyl)propane-1,3-diol (CID 79450494) is 2-[(4-chlorophenyl)methyl]-2-(2-methylphenyl)propane-1,3-diol.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-2-(2-methylphenyl)propane-1,3-diol?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-2-(2-methylphenyl)propane-1,3-diol is Cc1ccccc1C(CO)(CO)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-2-(2-methylphenyl)propane-1,3-diol?
The InChIKey is IBKCGOWOXIXLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClO2/c1-13-4-2-3-5-16(13)17(11-19,12-20)10-14-6-8-15(18)9-7-14/h2-9,19-20H,10-12H2,1H3.
What are the key properties of 2-[(4-chlorophenyl)methyl]-2-(2-methylphenyl)propane-1,3-diol?
2-[(4-chlorophenyl)methyl]-2-(2-methylphenyl)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)methyl]-2-(2-methylphenyl)propane-1,3-diol is sourced from PubChem (CID 79450494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).