1-[4-(dimethoxymethyl)phenyl]cyclopropan-1-ol

C12H16O3 — CID 84780194

IUPAC1-[4-(dimethoxymethyl)phenyl]cyclopropan-1-ol
SMILESCOC(OC)c1ccc(C2(O)CC2)cc1
InChIInChI=1S/C12H16O3/c1-14-11(15-2)9-3-5-10(6-4-9)12(13)7-8-12/h3-6,11,13H,7-8H2,1-2H3
InChIKeyDLBXFKDIFXVKDG-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.96
Rot. Bonds4

About 1-[4-(dimethoxymethyl)phenyl]cyclopropan-1-ol

1-[4-(dimethoxymethyl)phenyl]cyclopropan-1-ol (PubChem CID 84780194) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-[4-(dimethoxymethyl)phenyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[4-(dimethoxymethyl)phenyl]cyclopropan-1-ol
PubChem CID84780194
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name1-[4-(dimethoxymethyl)phenyl]cyclopropan-1-ol
SMILESCOC(OC)c1ccc(C2(O)CC2)cc1
InChIInChI=1S/C12H16O3/c1-14-11(15-2)9-3-5-10(6-4-9)12(13)7-8-12/h3-6,11,13H,7-8H2,1-2H3
InChIKeyDLBXFKDIFXVKDG-UHFFFAOYSA-N
XLogP1.96
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethoxymethyl)phenyl]cyclopropan-1-ol?
The IUPAC name of 1-[4-(dimethoxymethyl)phenyl]cyclopropan-1-ol (CID 84780194) is 1-[4-(dimethoxymethyl)phenyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[4-(dimethoxymethyl)phenyl]cyclopropan-1-ol?
The canonical SMILES for 1-[4-(dimethoxymethyl)phenyl]cyclopropan-1-ol is COC(OC)c1ccc(C2(O)CC2)cc1.
What is the InChIKey of 1-[4-(dimethoxymethyl)phenyl]cyclopropan-1-ol?
The InChIKey is DLBXFKDIFXVKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-14-11(15-2)9-3-5-10(6-4-9)12(13)7-8-12/h3-6,11,13H,7-8H2,1-2H3.
What are the key properties of 1-[4-(dimethoxymethyl)phenyl]cyclopropan-1-ol?
1-[4-(dimethoxymethyl)phenyl]cyclopropan-1-ol has a molecular weight of 208.26 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethoxymethyl)phenyl]cyclopropan-1-ol is sourced from PubChem (CID 84780194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).