2-(1,3-dioxolan-2-ylmethyl)-2-phenylpropane-1,3-diol

C13H18O4 — CID 166174488

IUPAC2-(1,3-dioxolan-2-ylmethyl)-2-phenylpropane-1,3-diol
SMILESOCC(CO)(CC1OCCO1)c1ccccc1
InChIInChI=1S/C13H18O4/c14-9-13(10-15,8-12-16-6-7-17-12)11-4-2-1-3-5-11/h1-5,12,14-15H,6-10H2
InChIKeyFVYWAEZYVYCITN-UHFFFAOYSA-N
MW238.28 g/mol
LogP0.67
Rot. Bonds5

About 2-(1,3-dioxolan-2-ylmethyl)-2-phenylpropane-1,3-diol

2-(1,3-dioxolan-2-ylmethyl)-2-phenylpropane-1,3-diol (PubChem CID 166174488) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is 2-(1,3-dioxolan-2-ylmethyl)-2-phenylpropane-1,3-diol.

Molecular Properties

Compound Name2-(1,3-dioxolan-2-ylmethyl)-2-phenylpropane-1,3-diol
PubChem CID166174488
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name2-(1,3-dioxolan-2-ylmethyl)-2-phenylpropane-1,3-diol
SMILESOCC(CO)(CC1OCCO1)c1ccccc1
InChIInChI=1S/C13H18O4/c14-9-13(10-15,8-12-16-6-7-17-12)11-4-2-1-3-5-11/h1-5,12,14-15H,6-10H2
InChIKeyFVYWAEZYVYCITN-UHFFFAOYSA-N
XLogP0.67
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxolan-2-ylmethyl)-2-phenylpropane-1,3-diol?
The IUPAC name of 2-(1,3-dioxolan-2-ylmethyl)-2-phenylpropane-1,3-diol (CID 166174488) is 2-(1,3-dioxolan-2-ylmethyl)-2-phenylpropane-1,3-diol.
What is the SMILES notation for 2-(1,3-dioxolan-2-ylmethyl)-2-phenylpropane-1,3-diol?
The canonical SMILES for 2-(1,3-dioxolan-2-ylmethyl)-2-phenylpropane-1,3-diol is OCC(CO)(CC1OCCO1)c1ccccc1.
What is the InChIKey of 2-(1,3-dioxolan-2-ylmethyl)-2-phenylpropane-1,3-diol?
The InChIKey is FVYWAEZYVYCITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c14-9-13(10-15,8-12-16-6-7-17-12)11-4-2-1-3-5-11/h1-5,12,14-15H,6-10H2.
What are the key properties of 2-(1,3-dioxolan-2-ylmethyl)-2-phenylpropane-1,3-diol?
2-(1,3-dioxolan-2-ylmethyl)-2-phenylpropane-1,3-diol has a molecular weight of 238.28 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxolan-2-ylmethyl)-2-phenylpropane-1,3-diol is sourced from PubChem (CID 166174488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).