2-(2-methylpentyl)-2-phenylpropane-1,3-diol

C15H24O2 — CID 79449866

IUPAC2-(2-methylpentyl)-2-phenylpropane-1,3-diol
SMILESCCCC(C)CC(CO)(CO)c1ccccc1
InChIInChI=1S/C15H24O2/c1-3-7-13(2)10-15(11-16,12-17)14-8-5-4-6-9-14/h4-6,8-9,13,16-17H,3,7,10-12H2,1-2H3
InChIKeyJIQQHCRMSQTOEB-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.74
Rot. Bonds7

About 2-(2-methylpentyl)-2-phenylpropane-1,3-diol

2-(2-methylpentyl)-2-phenylpropane-1,3-diol (PubChem CID 79449866) has the molecular formula C15H24O2 and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-(2-methylpentyl)-2-phenylpropane-1,3-diol.

Molecular Properties

Compound Name2-(2-methylpentyl)-2-phenylpropane-1,3-diol
PubChem CID79449866
Molecular FormulaC15H24O2
Molecular Weight236.36 g/mol
Exact Mass236.18
IUPAC Name2-(2-methylpentyl)-2-phenylpropane-1,3-diol
SMILESCCCC(C)CC(CO)(CO)c1ccccc1
InChIInChI=1S/C15H24O2/c1-3-7-13(2)10-15(11-16,12-17)14-8-5-4-6-9-14/h4-6,8-9,13,16-17H,3,7,10-12H2,1-2H3
InChIKeyJIQQHCRMSQTOEB-UHFFFAOYSA-N
XLogP2.74
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-2-(2-methylpentyl)propane-1,3-diol
CID 79447915
2-(2-bromophenyl)-2-(2-methylpentyl)propane-1,3-diol
CID 79446991
2-(4-methylpentyl)-2-phenylpropane-1,3-diol
CID 83168289
2-butyl-2-phenylpropane-1,3-diol
CID 79449681
2-(aminomethyl)-4-methyl-2-phenylpentan-1-ol
CID 106508028
(5-ethyl-2,7-dimethylnonan-5-yl)benzene
CID 57301668
2-(3-fluorophenyl)-4-methylheptan-2-ol
CID 65145180
1-[1-bromo-2-(bromomethyl)-4-methylheptan-2-yl]-4-methylbenzene
CID 79456211
2-ethyl-2-phenyl-4-propan-2-yloxybutan-1-ol
CID 66060643
2-ethyl-2-phenylnonan-1-ol
CID 66057887
2-ethyl-2-phenyldecan-1-ol
CID 66058928
2-(methylaminomethyl)-2-phenylbutan-1-ol
CID 13463568

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpentyl)-2-phenylpropane-1,3-diol?
The IUPAC name of 2-(2-methylpentyl)-2-phenylpropane-1,3-diol (CID 79449866) is 2-(2-methylpentyl)-2-phenylpropane-1,3-diol.
What is the SMILES notation for 2-(2-methylpentyl)-2-phenylpropane-1,3-diol?
The canonical SMILES for 2-(2-methylpentyl)-2-phenylpropane-1,3-diol is CCCC(C)CC(CO)(CO)c1ccccc1.
What is the InChIKey of 2-(2-methylpentyl)-2-phenylpropane-1,3-diol?
The InChIKey is JIQQHCRMSQTOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-3-7-13(2)10-15(11-16,12-17)14-8-5-4-6-9-14/h4-6,8-9,13,16-17H,3,7,10-12H2,1-2H3.
What are the key properties of 2-(2-methylpentyl)-2-phenylpropane-1,3-diol?
2-(2-methylpentyl)-2-phenylpropane-1,3-diol has a molecular weight of 236.36 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpentyl)-2-phenylpropane-1,3-diol is sourced from PubChem (CID 79449866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).