1-[[3,6-dimethoxy-2-(methoxymethyl)phenyl]methyl]cyclopropan-1-ol

C14H20O4 — CID 117384074

IUPAC1-[[3,6-dimethoxy-2-(methoxymethyl)phenyl]methyl]cyclopropan-1-ol
SMILESCOCc1c(OC)ccc(OC)c1CC1(O)CC1
InChIInChI=1S/C14H20O4/c1-16-9-11-10(8-14(15)6-7-14)12(17-2)4-5-13(11)18-3/h4-5,15H,6-9H2,1-3H3
InChIKeyMXLGEAHIWIKFNB-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.92
Rot. Bonds6

About 1-[[3,6-dimethoxy-2-(methoxymethyl)phenyl]methyl]cyclopropan-1-ol

1-[[3,6-dimethoxy-2-(methoxymethyl)phenyl]methyl]cyclopropan-1-ol (PubChem CID 117384074) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-[[3,6-dimethoxy-2-(methoxymethyl)phenyl]methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[[3,6-dimethoxy-2-(methoxymethyl)phenyl]methyl]cyclopropan-1-ol
PubChem CID117384074
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name1-[[3,6-dimethoxy-2-(methoxymethyl)phenyl]methyl]cyclopropan-1-ol
SMILESCOCc1c(OC)ccc(OC)c1CC1(O)CC1
InChIInChI=1S/C14H20O4/c1-16-9-11-10(8-14(15)6-7-14)12(17-2)4-5-13(11)18-3/h4-5,15H,6-9H2,1-3H3
InChIKeyMXLGEAHIWIKFNB-UHFFFAOYSA-N
XLogP1.92
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-bromo-3,6-dimethoxyphenyl)methyl]cyclopropan-1-ol
CID 117462925
1-[[4-fluoro-2-methoxy-6-(methoxymethyl)phenyl]methyl]cyclopropan-1-ol
CID 117353256
3-bromo-2-[(1-hydroxycyclopropyl)methyl]-6-methoxyphenol
CID 117434988
3-ethyl-2-[(1-hydroxycyclopropyl)methyl]-6-methoxyphenol
CID 117318322
1-[(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)methyl]cyclopropan-1-ol
CID 117368497
2-[3,6-dimethoxy-2-(methoxymethyl)phenyl]acetic acid
CID 117353050
3-[(1-hydroxycyclopropyl)methyl]-4-methoxyphenol
CID 117284575
1-[3-methoxy-2-(methoxymethyl)phenyl]cyclopropan-1-ol
CID 117297699
1-[[2-(1-fluoroethyl)-6-methoxyphenyl]methyl]cyclopropan-1-ol
CID 117322144
1-[(2,3,4-trimethoxyphenyl)methyl]cyclopropan-1-ol
CID 117349180
1-[[3,5-difluoro-4-(methoxymethyl)phenyl]methyl]cyclopropan-1-ol
CID 117328603
2-[1-[2,4-dimethoxy-3-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 117449951

Frequently Asked Questions

What is the IUPAC name of 1-[[3,6-dimethoxy-2-(methoxymethyl)phenyl]methyl]cyclopropan-1-ol?
The IUPAC name of 1-[[3,6-dimethoxy-2-(methoxymethyl)phenyl]methyl]cyclopropan-1-ol (CID 117384074) is 1-[[3,6-dimethoxy-2-(methoxymethyl)phenyl]methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[[3,6-dimethoxy-2-(methoxymethyl)phenyl]methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[[3,6-dimethoxy-2-(methoxymethyl)phenyl]methyl]cyclopropan-1-ol is COCc1c(OC)ccc(OC)c1CC1(O)CC1.
What is the InChIKey of 1-[[3,6-dimethoxy-2-(methoxymethyl)phenyl]methyl]cyclopropan-1-ol?
The InChIKey is MXLGEAHIWIKFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-16-9-11-10(8-14(15)6-7-14)12(17-2)4-5-13(11)18-3/h4-5,15H,6-9H2,1-3H3.
What are the key properties of 1-[[3,6-dimethoxy-2-(methoxymethyl)phenyl]methyl]cyclopropan-1-ol?
1-[[3,6-dimethoxy-2-(methoxymethyl)phenyl]methyl]cyclopropan-1-ol has a molecular weight of 252.31 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3,6-dimethoxy-2-(methoxymethyl)phenyl]methyl]cyclopropan-1-ol is sourced from PubChem (CID 117384074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).