6-[(1-hydroxycyclopropyl)methyl]-2-methoxy-3,4-dimethylphenol

C13H18O3 — CID 117318324

IUPAC6-[(1-hydroxycyclopropyl)methyl]-2-methoxy-3,4-dimethylphenol
SMILESCOc1c(C)c(C)cc(CC2(O)CC2)c1O
InChIInChI=1S/C13H18O3/c1-8-6-10(7-13(15)4-5-13)11(14)12(16-3)9(8)2/h6,14-15H,4-5,7H2,1-3H3
InChIKeyQMLXWGWHNYERLL-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.09
Rot. Bonds3

About 6-[(1-hydroxycyclopropyl)methyl]-2-methoxy-3,4-dimethylphenol

6-[(1-hydroxycyclopropyl)methyl]-2-methoxy-3,4-dimethylphenol (PubChem CID 117318324) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 6-[(1-hydroxycyclopropyl)methyl]-2-methoxy-3,4-dimethylphenol.

Molecular Properties

Compound Name6-[(1-hydroxycyclopropyl)methyl]-2-methoxy-3,4-dimethylphenol
PubChem CID117318324
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name6-[(1-hydroxycyclopropyl)methyl]-2-methoxy-3,4-dimethylphenol
SMILESCOc1c(C)c(C)cc(CC2(O)CC2)c1O
InChIInChI=1S/C13H18O3/c1-8-6-10(7-13(15)4-5-13)11(14)12(16-3)9(8)2/h6,14-15H,4-5,7H2,1-3H3
InChIKeyQMLXWGWHNYERLL-UHFFFAOYSA-N
XLogP2.09
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-chloro-3-methoxy-2,4-dimethylphenyl)methyl]cyclopropan-1-ol
CID 117354215
5-chloro-2-[(1-hydroxycyclopropyl)methyl]-6-methoxy-3-methylphenol
CID 117358714
4-fluoro-2-[(1-hydroxycyclopropyl)methyl]-6-methoxyphenol
CID 117302776
6-(2-amino-2-methylpropyl)-2-methoxy-3,4-dimethylphenol
CID 117320493
1-[(3-bromo-2,5-dimethoxy-4-methylphenyl)methyl]cyclopropan-1-ol
CID 117485084
1-[(5-chloro-2-methoxy-3,6-dimethylphenyl)methyl]cyclopropan-1-ol
CID 117354228
1-[(5-ethoxy-2-methoxy-4-methylphenyl)methyl]cyclopropan-1-ol
CID 117345254
1-[(3-tert-butyl-2-methoxy-5-methylphenyl)methyl]cyclopropan-1-ol
CID 117374422
methyl 3-[(1-hydroxycyclopropyl)methyl]-4,5-dimethylbenzoate
CID 117340452
2-methoxy-3,4-dimethyl-6-(piperidin-2-ylmethyl)phenol
CID 117377158
3-(1-aminocyclopropyl)-2-methoxy-5,6-dimethylphenol
CID 117296160
1-[(2,3,4-trimethoxyphenyl)methyl]cyclopropan-1-ol
CID 117349180

Frequently Asked Questions

What is the IUPAC name of 6-[(1-hydroxycyclopropyl)methyl]-2-methoxy-3,4-dimethylphenol?
The IUPAC name of 6-[(1-hydroxycyclopropyl)methyl]-2-methoxy-3,4-dimethylphenol (CID 117318324) is 6-[(1-hydroxycyclopropyl)methyl]-2-methoxy-3,4-dimethylphenol.
What is the SMILES notation for 6-[(1-hydroxycyclopropyl)methyl]-2-methoxy-3,4-dimethylphenol?
The canonical SMILES for 6-[(1-hydroxycyclopropyl)methyl]-2-methoxy-3,4-dimethylphenol is COc1c(C)c(C)cc(CC2(O)CC2)c1O.
What is the InChIKey of 6-[(1-hydroxycyclopropyl)methyl]-2-methoxy-3,4-dimethylphenol?
The InChIKey is QMLXWGWHNYERLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-8-6-10(7-13(15)4-5-13)11(14)12(16-3)9(8)2/h6,14-15H,4-5,7H2,1-3H3.
What are the key properties of 6-[(1-hydroxycyclopropyl)methyl]-2-methoxy-3,4-dimethylphenol?
6-[(1-hydroxycyclopropyl)methyl]-2-methoxy-3,4-dimethylphenol has a molecular weight of 222.28 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-hydroxycyclopropyl)methyl]-2-methoxy-3,4-dimethylphenol is sourced from PubChem (CID 117318324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).