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

C15H24O2 — CID 79450807

IUPAC2-[(2-methylphenyl)methyl]-2-(2-methylpropyl)propane-1,3-diol
SMILESCc1ccccc1CC(CO)(CO)CC(C)C
InChIInChI=1S/C15H24O2/c1-12(2)8-15(10-16,11-17)9-14-7-5-4-6-13(14)3/h4-7,12,16-17H,8-11H2,1-3H3
InChIKeyGUSDJPCOTYONEE-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.55
Rot. Bonds6

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

2-[(2-methylphenyl)methyl]-2-(2-methylpropyl)propane-1,3-diol (PubChem CID 79450807) has the molecular formula C15H24O2 and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-[(2-methylphenyl)methyl]-2-(2-methylpropyl)propane-1,3-diol.

Molecular Properties

Compound Name2-[(2-methylphenyl)methyl]-2-(2-methylpropyl)propane-1,3-diol
PubChem CID79450807
Molecular FormulaC15H24O2
Molecular Weight236.36 g/mol
Exact Mass236.18
IUPAC Name2-[(2-methylphenyl)methyl]-2-(2-methylpropyl)propane-1,3-diol
SMILESCc1ccccc1CC(CO)(CO)CC(C)C
InChIInChI=1S/C15H24O2/c1-12(2)8-15(10-16,11-17)9-14-7-5-4-6-13(14)3/h4-7,12,16-17H,8-11H2,1-3H3
InChIKeyGUSDJPCOTYONEE-UHFFFAOYSA-N
XLogP2.55
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-methylphenyl)methyl]-2-propylpropane-1,3-diol
CID 79450994
2,3-dimethyl-2-[(2-methylphenyl)methyl]butan-1-ol
CID 83151379
2-[(3-chloro-2-fluorophenyl)methyl]-2-(2-methylpropyl)propane-1,3-diol
CID 102863925
2-hydroxy-4-methyl-2-[(2-methylphenyl)methyl]pentanoic acid
CID 175280398
[(E)-5,5-bis(hydroxymethyl)-6-(2-methylphenyl)hex-2-enyl] methyl carbonate
CID 16720293
1-(2,2-dimethylpropyl)-2-methylbenzene
CID 21464495
3-(aminomethyl)-3-methyl-4-(2-methylphenyl)butan-2-ol
CID 65392997
2-methyl-2-[(2-methylphenyl)methyl]pentan-1-ol
CID 66025238
methane;1-methyl-2-(2-methylpropyl)benzene
CID 142148493
4-methyl-3-[(2-methylphenyl)methyl]-1,1-bis(methylsulfanyl)pentan-3-ol
CID 11022914
2,3,3-trimethyl-4-(2-methylphenyl)butan-2-ol
CID 58555255
1,1,2-tris(2-methylphenyl)ethanol
CID 69269373

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenyl)methyl]-2-(2-methylpropyl)propane-1,3-diol?
The IUPAC name of 2-[(2-methylphenyl)methyl]-2-(2-methylpropyl)propane-1,3-diol (CID 79450807) is 2-[(2-methylphenyl)methyl]-2-(2-methylpropyl)propane-1,3-diol.
What is the SMILES notation for 2-[(2-methylphenyl)methyl]-2-(2-methylpropyl)propane-1,3-diol?
The canonical SMILES for 2-[(2-methylphenyl)methyl]-2-(2-methylpropyl)propane-1,3-diol is Cc1ccccc1CC(CO)(CO)CC(C)C.
What is the InChIKey of 2-[(2-methylphenyl)methyl]-2-(2-methylpropyl)propane-1,3-diol?
The InChIKey is GUSDJPCOTYONEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-12(2)8-15(10-16,11-17)9-14-7-5-4-6-13(14)3/h4-7,12,16-17H,8-11H2,1-3H3.
What are the key properties of 2-[(2-methylphenyl)methyl]-2-(2-methylpropyl)propane-1,3-diol?
2-[(2-methylphenyl)methyl]-2-(2-methylpropyl)propane-1,3-diol has a molecular weight of 236.36 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylphenyl)methyl]-2-(2-methylpropyl)propane-1,3-diol is sourced from PubChem (CID 79450807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).