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

C10H12O3 — CID 15572

IUPAC(2-phenyl-1,3-dioxolan-4-yl)methanol
SMILESOCC1COC(c2ccccc2)O1
InChIInChI=1S/C10H12O3/c11-6-9-7-12-10(13-9)8-4-2-1-3-5-8/h1-5,9-11H,6-7H2
InChIKeyAUDDNHGBAJNKEH-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.09
Rot. Bonds2

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

(2-phenyl-1,3-dioxolan-4-yl)methanol (PubChem CID 15572) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is (2-phenyl-1,3-dioxolan-4-yl)methanol.

Molecular Properties

Compound Name(2-phenyl-1,3-dioxolan-4-yl)methanol
PubChem CID15572
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name(2-phenyl-1,3-dioxolan-4-yl)methanol
SMILESOCC1COC(c2ccccc2)O1
InChIInChI=1S/C10H12O3/c11-6-9-7-12-10(13-9)8-4-2-1-3-5-8/h1-5,9-11H,6-7H2
InChIKeyAUDDNHGBAJNKEH-UHFFFAOYSA-N
XLogP1.09
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-dioxolan-4-yl)methanol?
The IUPAC name of (2-phenyl-1,3-dioxolan-4-yl)methanol (CID 15572) is (2-phenyl-1,3-dioxolan-4-yl)methanol.
What is the SMILES notation for (2-phenyl-1,3-dioxolan-4-yl)methanol?
The canonical SMILES for (2-phenyl-1,3-dioxolan-4-yl)methanol is OCC1COC(c2ccccc2)O1.
What is the InChIKey of (2-phenyl-1,3-dioxolan-4-yl)methanol?
The InChIKey is AUDDNHGBAJNKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c11-6-9-7-12-10(13-9)8-4-2-1-3-5-8/h1-5,9-11H,6-7H2.
What are the key properties of (2-phenyl-1,3-dioxolan-4-yl)methanol?
(2-phenyl-1,3-dioxolan-4-yl)methanol has a molecular weight of 180.20 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1,3-dioxolan-4-yl)methanol is sourced from PubChem (CID 15572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).