(2-phenyl-2-propyl-1,3-dioxolan-4-yl)methanol

C13H18O3 — CID 20397

IUPAC(2-phenyl-2-propyl-1,3-dioxolan-4-yl)methanol
SMILESCCCC1(c2ccccc2)OCC(CO)O1
InChIInChI=1S/C13H18O3/c1-2-8-13(11-6-4-3-5-7-11)15-10-12(9-14)16-13/h3-7,12,14H,2,8-10H2,1H3
InChIKeyWTRULDHVZHPDHC-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.05
Rot. Bonds4

About (2-phenyl-2-propyl-1,3-dioxolan-4-yl)methanol

(2-phenyl-2-propyl-1,3-dioxolan-4-yl)methanol (PubChem CID 20397) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is (2-phenyl-2-propyl-1,3-dioxolan-4-yl)methanol.

Molecular Properties

Compound Name(2-phenyl-2-propyl-1,3-dioxolan-4-yl)methanol
PubChem CID20397
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name(2-phenyl-2-propyl-1,3-dioxolan-4-yl)methanol
SMILESCCCC1(c2ccccc2)OCC(CO)O1
InChIInChI=1S/C13H18O3/c1-2-8-13(11-6-4-3-5-7-11)15-10-12(9-14)16-13/h3-7,12,14H,2,8-10H2,1H3
InChIKeyWTRULDHVZHPDHC-UHFFFAOYSA-N
XLogP2.05
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-phenyl-2-propyl-1,3-dioxolan-4-yl)methanol?
The IUPAC name of (2-phenyl-2-propyl-1,3-dioxolan-4-yl)methanol (CID 20397) is (2-phenyl-2-propyl-1,3-dioxolan-4-yl)methanol.
What is the SMILES notation for (2-phenyl-2-propyl-1,3-dioxolan-4-yl)methanol?
The canonical SMILES for (2-phenyl-2-propyl-1,3-dioxolan-4-yl)methanol is CCCC1(c2ccccc2)OCC(CO)O1.
What is the InChIKey of (2-phenyl-2-propyl-1,3-dioxolan-4-yl)methanol?
The InChIKey is WTRULDHVZHPDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-2-8-13(11-6-4-3-5-7-11)15-10-12(9-14)16-13/h3-7,12,14H,2,8-10H2,1H3.
What are the key properties of (2-phenyl-2-propyl-1,3-dioxolan-4-yl)methanol?
(2-phenyl-2-propyl-1,3-dioxolan-4-yl)methanol has a molecular weight of 222.28 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-2-propyl-1,3-dioxolan-4-yl)methanol is sourced from PubChem (CID 20397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).