2-methyl-1-(2,3,4-trimethoxyphenyl)cyclopropan-1-ol

C13H18O4 — CID 79333952

IUPAC2-methyl-1-(2,3,4-trimethoxyphenyl)cyclopropan-1-ol
SMILESCOc1ccc(C2(O)CC2C)c(OC)c1OC
InChIInChI=1S/C13H18O4/c1-8-7-13(8,14)9-5-6-10(15-2)12(17-4)11(9)16-3/h5-6,8,14H,7H2,1-4H3
InChIKeySURVNJJTOCBMMF-UHFFFAOYSA-N
MW238.28 g/mol
LogP1.94
Rot. Bonds4

About 2-methyl-1-(2,3,4-trimethoxyphenyl)cyclopropan-1-ol

2-methyl-1-(2,3,4-trimethoxyphenyl)cyclopropan-1-ol (PubChem CID 79333952) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is 2-methyl-1-(2,3,4-trimethoxyphenyl)cyclopropan-1-ol.

Molecular Properties

Compound Name2-methyl-1-(2,3,4-trimethoxyphenyl)cyclopropan-1-ol
PubChem CID79333952
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name2-methyl-1-(2,3,4-trimethoxyphenyl)cyclopropan-1-ol
SMILESCOc1ccc(C2(O)CC2C)c(OC)c1OC
InChIInChI=1S/C13H18O4/c1-8-7-13(8,14)9-5-6-10(15-2)12(17-4)11(9)16-3/h5-6,8,14H,7H2,1-4H3
InChIKeySURVNJJTOCBMMF-UHFFFAOYSA-N
XLogP1.94
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Beta-Asarone
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2,6-Dimethoxy-4-propenylphenol,(E)-
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CID 9895264

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2,3,4-trimethoxyphenyl)cyclopropan-1-ol?
The IUPAC name of 2-methyl-1-(2,3,4-trimethoxyphenyl)cyclopropan-1-ol (CID 79333952) is 2-methyl-1-(2,3,4-trimethoxyphenyl)cyclopropan-1-ol.
What is the SMILES notation for 2-methyl-1-(2,3,4-trimethoxyphenyl)cyclopropan-1-ol?
The canonical SMILES for 2-methyl-1-(2,3,4-trimethoxyphenyl)cyclopropan-1-ol is COc1ccc(C2(O)CC2C)c(OC)c1OC.
What is the InChIKey of 2-methyl-1-(2,3,4-trimethoxyphenyl)cyclopropan-1-ol?
The InChIKey is SURVNJJTOCBMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-8-7-13(8,14)9-5-6-10(15-2)12(17-4)11(9)16-3/h5-6,8,14H,7H2,1-4H3.
What are the key properties of 2-methyl-1-(2,3,4-trimethoxyphenyl)cyclopropan-1-ol?
2-methyl-1-(2,3,4-trimethoxyphenyl)cyclopropan-1-ol has a molecular weight of 238.28 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2,3,4-trimethoxyphenyl)cyclopropan-1-ol is sourced from PubChem (CID 79333952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).