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

C10H12O3 — CID 12614248

IUPAC(2-phenyl-1,3-dioxolan-2-yl)methanol
SMILESOCC1(c2ccccc2)OCCO1
InChIInChI=1S/C10H12O3/c11-8-10(12-6-7-13-10)9-4-2-1-3-5-9/h1-5,11H,6-8H2
InChIKeyYUUFLSYPPSEURX-UHFFFAOYSA-N
MW180.20 g/mol
LogP0.88
Rot. Bonds2

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

(2-phenyl-1,3-dioxolan-2-yl)methanol (PubChem CID 12614248) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is (2-phenyl-1,3-dioxolan-2-yl)methanol.

Molecular Properties

Compound Name(2-phenyl-1,3-dioxolan-2-yl)methanol
PubChem CID12614248
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name(2-phenyl-1,3-dioxolan-2-yl)methanol
SMILESOCC1(c2ccccc2)OCCO1
InChIInChI=1S/C10H12O3/c11-8-10(12-6-7-13-10)9-4-2-1-3-5-9/h1-5,11H,6-8H2
InChIKeyYUUFLSYPPSEURX-UHFFFAOYSA-N
XLogP0.88
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 ≤ 50.88
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-2-yl)methanol?
The IUPAC name of (2-phenyl-1,3-dioxolan-2-yl)methanol (CID 12614248) is (2-phenyl-1,3-dioxolan-2-yl)methanol.
What is the SMILES notation for (2-phenyl-1,3-dioxolan-2-yl)methanol?
The canonical SMILES for (2-phenyl-1,3-dioxolan-2-yl)methanol is OCC1(c2ccccc2)OCCO1.
What is the InChIKey of (2-phenyl-1,3-dioxolan-2-yl)methanol?
The InChIKey is YUUFLSYPPSEURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c11-8-10(12-6-7-13-10)9-4-2-1-3-5-9/h1-5,11H,6-8H2.
What are the key properties of (2-phenyl-1,3-dioxolan-2-yl)methanol?
(2-phenyl-1,3-dioxolan-2-yl)methanol has a molecular weight of 180.20 g/mol, XLogP of 0.88, 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-2-yl)methanol is sourced from PubChem (CID 12614248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).