1-[3,5-dimethoxy-4-(methoxymethyl)phenyl]cyclopropan-1-ol

C13H18O4 — CID 117349197

IUPAC1-[3,5-dimethoxy-4-(methoxymethyl)phenyl]cyclopropan-1-ol
SMILESCOCc1c(OC)cc(C2(O)CC2)cc1OC
InChIInChI=1S/C13H18O4/c1-15-8-10-11(16-2)6-9(7-12(10)17-3)13(14)4-5-13/h6-7,14H,4-5,8H2,1-3H3
InChIKeyJUTRQONTQLLZLT-UHFFFAOYSA-N
MW238.28 g/mol
LogP1.83
Rot. Bonds5

About 1-[3,5-dimethoxy-4-(methoxymethyl)phenyl]cyclopropan-1-ol

1-[3,5-dimethoxy-4-(methoxymethyl)phenyl]cyclopropan-1-ol (PubChem CID 117349197) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is 1-[3,5-dimethoxy-4-(methoxymethyl)phenyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[3,5-dimethoxy-4-(methoxymethyl)phenyl]cyclopropan-1-ol
PubChem CID117349197
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name1-[3,5-dimethoxy-4-(methoxymethyl)phenyl]cyclopropan-1-ol
SMILESCOCc1c(OC)cc(C2(O)CC2)cc1OC
InChIInChI=1S/C13H18O4/c1-15-8-10-11(16-2)6-9(7-12(10)17-3)13(14)4-5-13/h6-7,14H,4-5,8H2,1-3H3
InChIKeyJUTRQONTQLLZLT-UHFFFAOYSA-N
XLogP1.83
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-4-ethyl-5-methoxyphenyl)cyclopropan-1-ol
CID 117326102
1-[4-methoxy-3-(methoxymethyl)phenyl]cyclopropan-1-ol
CID 117297706
1-[3-methoxy-2-(methoxymethyl)phenyl]cyclopropan-1-ol
CID 117297699
1-(3-chloro-5-methoxy-4-methylphenyl)cyclopropan-1-ol
CID 117303343
2-chloro-5-(1-hydroxycyclopropyl)-3-methoxyphenol
CID 84783596
1-[[3,6-dimethoxy-2-(methoxymethyl)phenyl]methyl]cyclopropan-1-ol
CID 117384074
1-(4-methoxy-3,5-dimethylphenyl)cyclopropan-1-ol
CID 117283028
2-[3,5-dimethoxy-4-(methoxymethyl)phenyl]-2-methylpropan-1-ol
CID 117389314
1-(7-methoxy-3-methyl-1H-indol-5-yl)cyclopropan-1-ol
CID 117309477
1-[[4-fluoro-2-methoxy-6-(methoxymethyl)phenyl]methyl]cyclopropan-1-ol
CID 117353256
1,3-dimethoxy-2-(methoxymethyl)benzene
CID 86183606
1-(5-ethoxy-2,4-dimethoxyphenyl)cyclopropan-1-ol
CID 117349200

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dimethoxy-4-(methoxymethyl)phenyl]cyclopropan-1-ol?
The IUPAC name of 1-[3,5-dimethoxy-4-(methoxymethyl)phenyl]cyclopropan-1-ol (CID 117349197) is 1-[3,5-dimethoxy-4-(methoxymethyl)phenyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[3,5-dimethoxy-4-(methoxymethyl)phenyl]cyclopropan-1-ol?
The canonical SMILES for 1-[3,5-dimethoxy-4-(methoxymethyl)phenyl]cyclopropan-1-ol is COCc1c(OC)cc(C2(O)CC2)cc1OC.
What is the InChIKey of 1-[3,5-dimethoxy-4-(methoxymethyl)phenyl]cyclopropan-1-ol?
The InChIKey is JUTRQONTQLLZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-15-8-10-11(16-2)6-9(7-12(10)17-3)13(14)4-5-13/h6-7,14H,4-5,8H2,1-3H3.
What are the key properties of 1-[3,5-dimethoxy-4-(methoxymethyl)phenyl]cyclopropan-1-ol?
1-[3,5-dimethoxy-4-(methoxymethyl)phenyl]cyclopropan-1-ol has a molecular weight of 238.28 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dimethoxy-4-(methoxymethyl)phenyl]cyclopropan-1-ol is sourced from PubChem (CID 117349197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).