1-[[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]methyl]cyclopropan-1-ol

C15H20O3 — CID 117374015

IUPAC1-[[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]methyl]cyclopropan-1-ol
SMILESCC1(C)OCC(c2ccccc2CC2(O)CC2)O1
InChIInChI=1S/C15H20O3/c1-14(2)17-10-13(18-14)12-6-4-3-5-11(12)9-15(16)7-8-15/h3-6,13,16H,7-10H2,1-2H3
InChIKeyQHWPEUYVSPZLBG-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.58
Rot. Bonds3

About 1-[[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]methyl]cyclopropan-1-ol

1-[[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]methyl]cyclopropan-1-ol (PubChem CID 117374015) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 1-[[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]methyl]cyclopropan-1-ol
PubChem CID117374015
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name1-[[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]methyl]cyclopropan-1-ol
SMILESCC1(C)OCC(c2ccccc2CC2(O)CC2)O1
InChIInChI=1S/C15H20O3/c1-14(2)17-10-13(18-14)12-6-4-3-5-11(12)9-15(16)7-8-15/h3-6,13,16H,7-10H2,1-2H3
InChIKeyQHWPEUYVSPZLBG-UHFFFAOYSA-N
XLogP2.58
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]methyl]cyclopropan-1-ol?
The IUPAC name of 1-[[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]methyl]cyclopropan-1-ol (CID 117374015) is 1-[[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]methyl]cyclopropan-1-ol is CC1(C)OCC(c2ccccc2CC2(O)CC2)O1.
What is the InChIKey of 1-[[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]methyl]cyclopropan-1-ol?
The InChIKey is QHWPEUYVSPZLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-14(2)17-10-13(18-14)12-6-4-3-5-11(12)9-15(16)7-8-15/h3-6,13,16H,7-10H2,1-2H3.
What are the key properties of 1-[[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]methyl]cyclopropan-1-ol?
1-[[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]methyl]cyclopropan-1-ol has a molecular weight of 248.32 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]methyl]cyclopropan-1-ol is sourced from PubChem (CID 117374015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).