1-[3-methoxy-2-(methoxymethyl)phenyl]cyclopropan-1-ol

C12H16O3 — CID 117297699

IUPAC1-[3-methoxy-2-(methoxymethyl)phenyl]cyclopropan-1-ol
SMILESCOCc1c(OC)cccc1C1(O)CC1
InChIInChI=1S/C12H16O3/c1-14-8-9-10(12(13)6-7-12)4-3-5-11(9)15-2/h3-5,13H,6-8H2,1-2H3
InChIKeyPTGZDZGDCFRVCA-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.82
Rot. Bonds4

About 1-[3-methoxy-2-(methoxymethyl)phenyl]cyclopropan-1-ol

1-[3-methoxy-2-(methoxymethyl)phenyl]cyclopropan-1-ol (PubChem CID 117297699) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-[3-methoxy-2-(methoxymethyl)phenyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[3-methoxy-2-(methoxymethyl)phenyl]cyclopropan-1-ol
PubChem CID117297699
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name1-[3-methoxy-2-(methoxymethyl)phenyl]cyclopropan-1-ol
SMILESCOCc1c(OC)cccc1C1(O)CC1
InChIInChI=1S/C12H16O3/c1-14-8-9-10(12(13)6-7-12)4-3-5-11(9)15-2/h3-5,13H,6-8H2,1-2H3
InChIKeyPTGZDZGDCFRVCA-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-methoxy-2-(methoxymethyl)phenyl]cyclopropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-2-(methoxymethyl)phenyl]cyclopropan-1-ol?
The IUPAC name of 1-[3-methoxy-2-(methoxymethyl)phenyl]cyclopropan-1-ol (CID 117297699) is 1-[3-methoxy-2-(methoxymethyl)phenyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[3-methoxy-2-(methoxymethyl)phenyl]cyclopropan-1-ol?
The canonical SMILES for 1-[3-methoxy-2-(methoxymethyl)phenyl]cyclopropan-1-ol is COCc1c(OC)cccc1C1(O)CC1.
What is the InChIKey of 1-[3-methoxy-2-(methoxymethyl)phenyl]cyclopropan-1-ol?
The InChIKey is PTGZDZGDCFRVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-14-8-9-10(12(13)6-7-12)4-3-5-11(9)15-2/h3-5,13H,6-8H2,1-2H3.
What are the key properties of 1-[3-methoxy-2-(methoxymethyl)phenyl]cyclopropan-1-ol?
1-[3-methoxy-2-(methoxymethyl)phenyl]cyclopropan-1-ol has a molecular weight of 208.26 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-2-(methoxymethyl)phenyl]cyclopropan-1-ol is sourced from PubChem (CID 117297699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).