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

C19H24O2 — CID 79444429

IUPAC2-[(2,5-dimethylphenyl)methyl]-2-(4-methylphenyl)propane-1,3-diol
SMILESCc1ccc(C(CO)(CO)Cc2cc(C)ccc2C)cc1
InChIInChI=1S/C19H24O2/c1-14-5-8-18(9-6-14)19(12-20,13-21)11-17-10-15(2)4-7-16(17)3/h4-10,20-21H,11-13H2,1-3H3
InChIKeyPTAHDGSLUHLAAK-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.08
Rot. Bonds5

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

2-[(2,5-dimethylphenyl)methyl]-2-(4-methylphenyl)propane-1,3-diol (PubChem CID 79444429) has the molecular formula C19H24O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[(2,5-dimethylphenyl)methyl]-2-(4-methylphenyl)propane-1,3-diol.

Molecular Properties

Compound Name2-[(2,5-dimethylphenyl)methyl]-2-(4-methylphenyl)propane-1,3-diol
PubChem CID79444429
Molecular FormulaC19H24O2
Molecular Weight284.40 g/mol
Exact Mass284.18
IUPAC Name2-[(2,5-dimethylphenyl)methyl]-2-(4-methylphenyl)propane-1,3-diol
SMILESCc1ccc(C(CO)(CO)Cc2cc(C)ccc2C)cc1
InChIInChI=1S/C19H24O2/c1-14-5-8-18(9-6-14)19(12-20,13-21)11-17-10-15(2)4-7-16(17)3/h4-10,20-21H,11-13H2,1-3H3
InChIKeyPTAHDGSLUHLAAK-UHFFFAOYSA-N
XLogP3.08
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-chloro-2-fluorophenyl)methyl]-2-(4-methylphenyl)propane-1,3-diol
CID 103051451
1-(2,5-dimethylphenyl)-2-(4-methylphenyl)propan-2-amine
CID 61482079
2-[3-bromo-2-(bromomethyl)-2-phenylpropyl]-1,4-dimethylbenzene
CID 79455964
2-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-1,4-dimethylbenzene
CID 79447240
2-[(3,5-difluorophenyl)methyl]-2-(4-methylphenyl)propane-1,3-diol
CID 105411070
2-[(2,5-dimethylphenyl)methyl]-2-phenylbutan-1-amine
CID 63522869
2-[(3-chlorophenyl)methyl]-2-(4-methylphenyl)propane-1,3-diol
CID 79449871
2-(4-chlorophenyl)-2-[(4-fluoro-2-methylphenyl)methyl]propane-1,3-diol
CID 114349965
2-(3,3-dimethylbutyl)-2-(4-methylphenyl)propane-1,3-diol
CID 79449778
[(2,5-dimethylphenyl)methyl-methylamino]methanol
CID 115229092
4-[(2,5-dimethylphenyl)methyl]heptan-4-ol
CID 114865735
2-(aminomethyl)-3-(2-fluorophenyl)-2-(4-methylphenyl)propan-1-ol
CID 106508546

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylphenyl)methyl]-2-(4-methylphenyl)propane-1,3-diol?
The IUPAC name of 2-[(2,5-dimethylphenyl)methyl]-2-(4-methylphenyl)propane-1,3-diol (CID 79444429) is 2-[(2,5-dimethylphenyl)methyl]-2-(4-methylphenyl)propane-1,3-diol.
What is the SMILES notation for 2-[(2,5-dimethylphenyl)methyl]-2-(4-methylphenyl)propane-1,3-diol?
The canonical SMILES for 2-[(2,5-dimethylphenyl)methyl]-2-(4-methylphenyl)propane-1,3-diol is Cc1ccc(C(CO)(CO)Cc2cc(C)ccc2C)cc1.
What is the InChIKey of 2-[(2,5-dimethylphenyl)methyl]-2-(4-methylphenyl)propane-1,3-diol?
The InChIKey is PTAHDGSLUHLAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O2/c1-14-5-8-18(9-6-14)19(12-20,13-21)11-17-10-15(2)4-7-16(17)3/h4-10,20-21H,11-13H2,1-3H3.
What are the key properties of 2-[(2,5-dimethylphenyl)methyl]-2-(4-methylphenyl)propane-1,3-diol?
2-[(2,5-dimethylphenyl)methyl]-2-(4-methylphenyl)propane-1,3-diol has a molecular weight of 284.40 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylphenyl)methyl]-2-(4-methylphenyl)propane-1,3-diol is sourced from PubChem (CID 79444429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).