2-(2-methylphenyl)-2-[2-(oxolan-2-yl)ethyl]propane-1,3-diol

C16H24O3 — CID 79450140

IUPAC2-(2-methylphenyl)-2-[2-(oxolan-2-yl)ethyl]propane-1,3-diol
SMILESCc1ccccc1C(CO)(CO)CCC1CCCO1
InChIInChI=1S/C16H24O3/c1-13-5-2-3-7-15(13)16(11-17,12-18)9-8-14-6-4-10-19-14/h2-3,5,7,14,17-18H,4,6,8-12H2,1H3
InChIKeyFHQGVHTXXZIJMM-UHFFFAOYSA-N
MW264.36 g/mol
LogP2.18
Rot. Bonds6

About 2-(2-methylphenyl)-2-[2-(oxolan-2-yl)ethyl]propane-1,3-diol

2-(2-methylphenyl)-2-[2-(oxolan-2-yl)ethyl]propane-1,3-diol (PubChem CID 79450140) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is 2-(2-methylphenyl)-2-[2-(oxolan-2-yl)ethyl]propane-1,3-diol.

Molecular Properties

Compound Name2-(2-methylphenyl)-2-[2-(oxolan-2-yl)ethyl]propane-1,3-diol
PubChem CID79450140
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Name2-(2-methylphenyl)-2-[2-(oxolan-2-yl)ethyl]propane-1,3-diol
SMILESCc1ccccc1C(CO)(CO)CCC1CCCO1
InChIInChI=1S/C16H24O3/c1-13-5-2-3-7-15(13)16(11-17,12-18)9-8-14-6-4-10-19-14/h2-3,5,7,14,17-18H,4,6,8-12H2,1H3
InChIKeyFHQGVHTXXZIJMM-UHFFFAOYSA-N
XLogP2.18
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-4-(oxolan-2-yl)-2-phenylbutan-1-ol
CID 66058100
1-(oxolan-2-yl)-3-phenylpentan-3-ol
CID 65162332
1-(oxolan-2-yl)-3-phenylhexan-3-ol
CID 65162334
1-(2-tert-butylphenyl)-3-(oxolan-2-yl)propan-1-one
CID 114976956
1-chloro-5-(oxolan-2-yl)-3-phenylpentan-3-ol
CID 116696380
2-(3-fluorophenyl)-2-(oxolan-2-ylmethyl)propane-1,3-diol
CID 79450596
N-[2-(2-methylphenyl)ethyl]-2-(oxolan-2-yl)ethanamine
CID 79763588
N-tert-butyl-2-(2-methylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 79424138
2-(2-methylphenyl)-5-(oxolan-2-yl)pentanoic acid
CID 79421580
3-benzyl-6-(oxolan-2-yl)hexan-3-ol
CID 79008182
2-(2-methylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 79421800
6-(oxolan-2-yl)-3-phenylhexan-3-amine
CID 65166888

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-2-[2-(oxolan-2-yl)ethyl]propane-1,3-diol?
The IUPAC name of 2-(2-methylphenyl)-2-[2-(oxolan-2-yl)ethyl]propane-1,3-diol (CID 79450140) is 2-(2-methylphenyl)-2-[2-(oxolan-2-yl)ethyl]propane-1,3-diol.
What is the SMILES notation for 2-(2-methylphenyl)-2-[2-(oxolan-2-yl)ethyl]propane-1,3-diol?
The canonical SMILES for 2-(2-methylphenyl)-2-[2-(oxolan-2-yl)ethyl]propane-1,3-diol is Cc1ccccc1C(CO)(CO)CCC1CCCO1.
What is the InChIKey of 2-(2-methylphenyl)-2-[2-(oxolan-2-yl)ethyl]propane-1,3-diol?
The InChIKey is FHQGVHTXXZIJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-13-5-2-3-7-15(13)16(11-17,12-18)9-8-14-6-4-10-19-14/h2-3,5,7,14,17-18H,4,6,8-12H2,1H3.
What are the key properties of 2-(2-methylphenyl)-2-[2-(oxolan-2-yl)ethyl]propane-1,3-diol?
2-(2-methylphenyl)-2-[2-(oxolan-2-yl)ethyl]propane-1,3-diol has a molecular weight of 264.36 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-2-[2-(oxolan-2-yl)ethyl]propane-1,3-diol is sourced from PubChem (CID 79450140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).