2-[(5,5-dimethyloxolan-2-yl)methyl]-2-phenylpropane-1,3-diol

C16H24O3 — CID 116525293

IUPAC2-[(5,5-dimethyloxolan-2-yl)methyl]-2-phenylpropane-1,3-diol
SMILESCC1(C)CCC(CC(CO)(CO)c2ccccc2)O1
InChIInChI=1S/C16H24O3/c1-15(2)9-8-14(19-15)10-16(11-17,12-18)13-6-4-3-5-7-13/h3-7,14,17-18H,8-12H2,1-2H3
InChIKeyAMIZAVMTWPETSY-UHFFFAOYSA-N
MW264.36 g/mol
LogP2.26
Rot. Bonds5

About 2-[(5,5-dimethyloxolan-2-yl)methyl]-2-phenylpropane-1,3-diol

2-[(5,5-dimethyloxolan-2-yl)methyl]-2-phenylpropane-1,3-diol (PubChem CID 116525293) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is 2-[(5,5-dimethyloxolan-2-yl)methyl]-2-phenylpropane-1,3-diol.

Molecular Properties

Compound Name2-[(5,5-dimethyloxolan-2-yl)methyl]-2-phenylpropane-1,3-diol
PubChem CID116525293
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Name2-[(5,5-dimethyloxolan-2-yl)methyl]-2-phenylpropane-1,3-diol
SMILESCC1(C)CCC(CC(CO)(CO)c2ccccc2)O1
InChIInChI=1S/C16H24O3/c1-15(2)9-8-14(19-15)10-16(11-17,12-18)13-6-4-3-5-7-13/h3-7,14,17-18H,8-12H2,1-2H3
InChIKeyAMIZAVMTWPETSY-UHFFFAOYSA-N
XLogP2.26
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-2,2-dimethyloxolane
CID 116525315
2-(2-chlorophenyl)-2-[(5,5-dimethyloxolan-2-yl)methyl]propane-1,3-diol
CID 116525300
2-[(5,5-dimethyloxolan-2-yl)methyl]-2-(2-fluorophenyl)propane-1,3-diol
CID 116525302
5-[3-chloro-2-(chloromethyl)-2-(2-chlorophenyl)propyl]-2,2-dimethyloxolane
CID 116525324
5-[3-bromo-2-(bromomethyl)-2-(2-bromophenyl)propyl]-2,2-dimethyloxolane
CID 116525349
5-[3-bromo-2-(bromomethyl)-2-(4-methylphenyl)propyl]-2,2-dimethyloxolane
CID 116525338
2-[(5,5-dimethyloxolan-2-yl)methyl]-2-ethylbutan-1-ol
CID 116525112
2-(1,3-dioxolan-2-ylmethyl)-2-phenylpropane-1,3-diol
CID 166174488
2-cyclopropyl-3-(5,5-dimethyloxolan-2-yl)-2-methylpropan-1-ol
CID 116525154
2-[(5,5-dimethyloxolan-2-yl)methyl]-2-propylpropane-1,3-diol
CID 116525290
(5S)-2,2-dimethyl-5-(phenoxymethyl)oxolane
CID 141293396
2-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]phenol
CID 116523197

Frequently Asked Questions

What is the IUPAC name of 2-[(5,5-dimethyloxolan-2-yl)methyl]-2-phenylpropane-1,3-diol?
The IUPAC name of 2-[(5,5-dimethyloxolan-2-yl)methyl]-2-phenylpropane-1,3-diol (CID 116525293) is 2-[(5,5-dimethyloxolan-2-yl)methyl]-2-phenylpropane-1,3-diol.
What is the SMILES notation for 2-[(5,5-dimethyloxolan-2-yl)methyl]-2-phenylpropane-1,3-diol?
The canonical SMILES for 2-[(5,5-dimethyloxolan-2-yl)methyl]-2-phenylpropane-1,3-diol is CC1(C)CCC(CC(CO)(CO)c2ccccc2)O1.
What is the InChIKey of 2-[(5,5-dimethyloxolan-2-yl)methyl]-2-phenylpropane-1,3-diol?
The InChIKey is AMIZAVMTWPETSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-15(2)9-8-14(19-15)10-16(11-17,12-18)13-6-4-3-5-7-13/h3-7,14,17-18H,8-12H2,1-2H3.
What are the key properties of 2-[(5,5-dimethyloxolan-2-yl)methyl]-2-phenylpropane-1,3-diol?
2-[(5,5-dimethyloxolan-2-yl)methyl]-2-phenylpropane-1,3-diol has a molecular weight of 264.36 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,5-dimethyloxolan-2-yl)methyl]-2-phenylpropane-1,3-diol is sourced from PubChem (CID 116525293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).