3-ethyl-2-[(1-hydroxycyclopropyl)methyl]-6-methoxyphenol

C13H18O3 — CID 117318322

IUPAC3-ethyl-2-[(1-hydroxycyclopropyl)methyl]-6-methoxyphenol
SMILESCCc1ccc(OC)c(O)c1CC1(O)CC1
InChIInChI=1S/C13H18O3/c1-3-9-4-5-11(16-2)12(14)10(9)8-13(15)6-7-13/h4-5,14-15H,3,6-8H2,1-2H3
InChIKeyLUCJJLUMCCIHTO-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.03
Rot. Bonds4

About 3-ethyl-2-[(1-hydroxycyclopropyl)methyl]-6-methoxyphenol

3-ethyl-2-[(1-hydroxycyclopropyl)methyl]-6-methoxyphenol (PubChem CID 117318322) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 3-ethyl-2-[(1-hydroxycyclopropyl)methyl]-6-methoxyphenol.

Molecular Properties

Compound Name3-ethyl-2-[(1-hydroxycyclopropyl)methyl]-6-methoxyphenol
PubChem CID117318322
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name3-ethyl-2-[(1-hydroxycyclopropyl)methyl]-6-methoxyphenol
SMILESCCc1ccc(OC)c(O)c1CC1(O)CC1
InChIInChI=1S/C13H18O3/c1-3-9-4-5-11(16-2)12(14)10(9)8-13(15)6-7-13/h4-5,14-15H,3,6-8H2,1-2H3
InChIKeyLUCJJLUMCCIHTO-UHFFFAOYSA-N
XLogP2.03
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-ethyl-2-[(1-hydroxycyclopropyl)methyl]-6-methoxyphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-2-[(1-hydroxycyclopropyl)methyl]-6-methoxyphenol
CID 117434988
1-[(2-bromo-3,6-dimethoxyphenyl)methyl]cyclopropan-1-ol
CID 117462925
1-[[3,6-dimethoxy-2-(methoxymethyl)phenyl]methyl]cyclopropan-1-ol
CID 117384074
1-[(2,3,4-trimethoxyphenyl)methyl]cyclopropan-1-ol
CID 117349180
3-ethyl-6-methoxy-2-[2-(methylamino)ethyl]phenol
CID 117299094
3-[(1-hydroxycyclopropyl)methyl]-4-methoxyphenol
CID 117284575
2-(1-aminocyclopentyl)-3-ethyl-6-methoxyphenol
CID 117342969
1-[(2-bromo-3,4-dimethoxyphenyl)methyl]cyclopropan-1-ol
CID 117462934
1-[(3-ethyl-2-methoxy-6-propan-2-ylphenyl)methyl]cyclopropan-1-ol
CID 117374425
1-[(2-ethyl-5-fluoro-3-methoxyphenyl)methyl]cyclopropan-1-ol
CID 117322147
6-ethyl-2-hydroxy-3-methoxybenzoic acid
CID 84666719
4-fluoro-2-[(1-hydroxycyclopropyl)methyl]-6-methoxyphenol
CID 117302776

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[(1-hydroxycyclopropyl)methyl]-6-methoxyphenol?
The IUPAC name of 3-ethyl-2-[(1-hydroxycyclopropyl)methyl]-6-methoxyphenol (CID 117318322) is 3-ethyl-2-[(1-hydroxycyclopropyl)methyl]-6-methoxyphenol.
What is the SMILES notation for 3-ethyl-2-[(1-hydroxycyclopropyl)methyl]-6-methoxyphenol?
The canonical SMILES for 3-ethyl-2-[(1-hydroxycyclopropyl)methyl]-6-methoxyphenol is CCc1ccc(OC)c(O)c1CC1(O)CC1.
What is the InChIKey of 3-ethyl-2-[(1-hydroxycyclopropyl)methyl]-6-methoxyphenol?
The InChIKey is LUCJJLUMCCIHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-3-9-4-5-11(16-2)12(14)10(9)8-13(15)6-7-13/h4-5,14-15H,3,6-8H2,1-2H3.
What are the key properties of 3-ethyl-2-[(1-hydroxycyclopropyl)methyl]-6-methoxyphenol?
3-ethyl-2-[(1-hydroxycyclopropyl)methyl]-6-methoxyphenol has a molecular weight of 222.28 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[(1-hydroxycyclopropyl)methyl]-6-methoxyphenol is sourced from PubChem (CID 117318322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).