2-(2-propyl-1,3-dioxolan-2-yl)phenol

C12H16O3 — CID 83957796

IUPAC2-(2-propyl-1,3-dioxolan-2-yl)phenol
SMILESCCCC1(c2ccccc2O)OCCO1
InChIInChI=1S/C12H16O3/c1-2-7-12(14-8-9-15-12)10-5-3-4-6-11(10)13/h3-6,13H,2,7-9H2,1H3
InChIKeyRUIVTLASRNSLJT-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.39
Rot. Bonds3

About 2-(2-propyl-1,3-dioxolan-2-yl)phenol

2-(2-propyl-1,3-dioxolan-2-yl)phenol (PubChem CID 83957796) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(2-propyl-1,3-dioxolan-2-yl)phenol.

Molecular Properties

Compound Name2-(2-propyl-1,3-dioxolan-2-yl)phenol
PubChem CID83957796
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name2-(2-propyl-1,3-dioxolan-2-yl)phenol
SMILESCCCC1(c2ccccc2O)OCCO1
InChIInChI=1S/C12H16O3/c1-2-7-12(14-8-9-15-12)10-5-3-4-6-11(10)13/h3-6,13H,2,7-9H2,1H3
InChIKeyRUIVTLASRNSLJT-UHFFFAOYSA-N
XLogP2.39
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-propyl-1,3-dioxolan-2-yl)phenol?
The IUPAC name of 2-(2-propyl-1,3-dioxolan-2-yl)phenol (CID 83957796) is 2-(2-propyl-1,3-dioxolan-2-yl)phenol.
What is the SMILES notation for 2-(2-propyl-1,3-dioxolan-2-yl)phenol?
The canonical SMILES for 2-(2-propyl-1,3-dioxolan-2-yl)phenol is CCCC1(c2ccccc2O)OCCO1.
What is the InChIKey of 2-(2-propyl-1,3-dioxolan-2-yl)phenol?
The InChIKey is RUIVTLASRNSLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-2-7-12(14-8-9-15-12)10-5-3-4-6-11(10)13/h3-6,13H,2,7-9H2,1H3.
What are the key properties of 2-(2-propyl-1,3-dioxolan-2-yl)phenol?
2-(2-propyl-1,3-dioxolan-2-yl)phenol has a molecular weight of 208.26 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propyl-1,3-dioxolan-2-yl)phenol is sourced from PubChem (CID 83957796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).