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

C13H18O4 — CID 117349180

IUPAC1-[(2,3,4-trimethoxyphenyl)methyl]cyclopropan-1-ol
SMILESCOc1ccc(CC2(O)CC2)c(OC)c1OC
InChIInChI=1S/C13H18O4/c1-15-10-5-4-9(8-13(14)6-7-13)11(16-2)12(10)17-3/h4-5,14H,6-8H2,1-3H3
InChIKeyNELCJWVEDWVJAR-UHFFFAOYSA-N
MW238.28 g/mol
LogP1.78
Rot. Bonds5

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

1-[(2,3,4-trimethoxyphenyl)methyl]cyclopropan-1-ol (PubChem CID 117349180) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is 1-[(2,3,4-trimethoxyphenyl)methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[(2,3,4-trimethoxyphenyl)methyl]cyclopropan-1-ol
PubChem CID117349180
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name1-[(2,3,4-trimethoxyphenyl)methyl]cyclopropan-1-ol
SMILESCOc1ccc(CC2(O)CC2)c(OC)c1OC
InChIInChI=1S/C13H18O4/c1-15-10-5-4-9(8-13(14)6-7-13)11(16-2)12(10)17-3/h4-5,14H,6-8H2,1-3H3
InChIKeyNELCJWVEDWVJAR-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-bromo-3,4-dimethoxyphenyl)methyl]cyclopropan-1-ol
CID 117462934
3-[(1-hydroxycyclopropyl)methyl]-4-methoxyphenol
CID 117284575
1-[(4-methoxy-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol
CID 117317889
3-[[(2,3,4-trimethoxyphenyl)methylamino]methyl]oxolan-3-ol
CID 103848244
3-ethyl-2-[(1-hydroxycyclopropyl)methyl]-6-methoxyphenol
CID 117318322
1-[(2-bromo-3,6-dimethoxyphenyl)methyl]cyclopropan-1-ol
CID 117462925
1-[(3-bromo-2,5-dimethoxy-4-methylphenyl)methyl]cyclopropan-1-ol
CID 117485084
1-[[3,6-dimethoxy-2-(methoxymethyl)phenyl]methyl]cyclopropan-1-ol
CID 117384074
1-[(2-methoxy-5-methylphenyl)methyl]cyclopentan-1-ol
CID 62161336
[1-[(2,3,4-trimethoxyphenyl)methylamino]cyclobutyl]methanol
CID 115733194
3-(2,3,4-trimethoxyphenyl)propan-1-ol
CID 11790895
N-[(1-methylsulfanylcyclobutyl)methyl]-1-(2,3,4-trimethoxyphenyl)methanamine
CID 107267050

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3,4-trimethoxyphenyl)methyl]cyclopropan-1-ol?
The IUPAC name of 1-[(2,3,4-trimethoxyphenyl)methyl]cyclopropan-1-ol (CID 117349180) is 1-[(2,3,4-trimethoxyphenyl)methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[(2,3,4-trimethoxyphenyl)methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[(2,3,4-trimethoxyphenyl)methyl]cyclopropan-1-ol is COc1ccc(CC2(O)CC2)c(OC)c1OC.
What is the InChIKey of 1-[(2,3,4-trimethoxyphenyl)methyl]cyclopropan-1-ol?
The InChIKey is NELCJWVEDWVJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-15-10-5-4-9(8-13(14)6-7-13)11(16-2)12(10)17-3/h4-5,14H,6-8H2,1-3H3.
What are the key properties of 1-[(2,3,4-trimethoxyphenyl)methyl]cyclopropan-1-ol?
1-[(2,3,4-trimethoxyphenyl)methyl]cyclopropan-1-ol has a molecular weight of 238.28 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3,4-trimethoxyphenyl)methyl]cyclopropan-1-ol is sourced from PubChem (CID 117349180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).