2-(1-ethylcyclopropyl)-3-(methoxymethoxy)phenol

C13H18O3 — CID 147825187

IUPAC2-(1-ethylcyclopropyl)-3-(methoxymethoxy)phenol
SMILESCCC1(c2c(O)cccc2OCOC)CC1
InChIInChI=1S/C13H18O3/c1-3-13(7-8-13)12-10(14)5-4-6-11(12)16-9-15-2/h4-6,14H,3,7-9H2,1-2H3
InChIKeyHPZSCTCJBBPQEK-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.82
Rot. Bonds5

About 2-(1-ethylcyclopropyl)-3-(methoxymethoxy)phenol

2-(1-ethylcyclopropyl)-3-(methoxymethoxy)phenol (PubChem CID 147825187) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 2-(1-ethylcyclopropyl)-3-(methoxymethoxy)phenol.

Molecular Properties

Compound Name2-(1-ethylcyclopropyl)-3-(methoxymethoxy)phenol
PubChem CID147825187
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name2-(1-ethylcyclopropyl)-3-(methoxymethoxy)phenol
SMILESCCC1(c2c(O)cccc2OCOC)CC1
InChIInChI=1S/C13H18O3/c1-3-13(7-8-13)12-10(14)5-4-6-11(12)16-9-15-2/h4-6,14H,3,7-9H2,1-2H3
InChIKeyHPZSCTCJBBPQEK-UHFFFAOYSA-N
XLogP2.82
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-3-(methoxymethoxy)phenol
CID 125115962
2-bromobenzene-1,3-diol;2-bromo-1,3-bis(methoxymethoxy)benzene;methane
CID 161492235
2-ethyl-1,3-bis(methoxymethoxy)benzene
CID 141101427
2-(1-aminocyclopentyl)-3-ethoxyphenol
CID 117316542
2-bromo-1-fluoro-3-(methoxymethoxy)benzene;2-bromo-3-fluorophenol
CID 167679834
(1S)-7-(methoxymethoxy)-2,3-dihydro-1H-inden-1-ol
CID 130651927
8-hydroxy-3,4-dihydro-1H-quinolin-2-one;methane;8-(methoxymethoxy)-3,4-dihydro-1H-quinolin-2-one
CID 145256308
triethyl-[2-(methoxymethoxy)phenyl]silane
CID 69371927
[2-(methoxymethoxy)phenyl]methanol
CID 10920904
2-[2,3-bis(methoxymethoxy)phenyl]oxirane
CID 18753114
1-[2-(methoxymethoxy)phenyl]propan-1-one
CID 15053855
2-ethyl-3-(methoxymethoxy)pyridine
CID 20598170

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylcyclopropyl)-3-(methoxymethoxy)phenol?
The IUPAC name of 2-(1-ethylcyclopropyl)-3-(methoxymethoxy)phenol (CID 147825187) is 2-(1-ethylcyclopropyl)-3-(methoxymethoxy)phenol.
What is the SMILES notation for 2-(1-ethylcyclopropyl)-3-(methoxymethoxy)phenol?
The canonical SMILES for 2-(1-ethylcyclopropyl)-3-(methoxymethoxy)phenol is CCC1(c2c(O)cccc2OCOC)CC1.
What is the InChIKey of 2-(1-ethylcyclopropyl)-3-(methoxymethoxy)phenol?
The InChIKey is HPZSCTCJBBPQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-3-13(7-8-13)12-10(14)5-4-6-11(12)16-9-15-2/h4-6,14H,3,7-9H2,1-2H3.
What are the key properties of 2-(1-ethylcyclopropyl)-3-(methoxymethoxy)phenol?
2-(1-ethylcyclopropyl)-3-(methoxymethoxy)phenol has a molecular weight of 222.28 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylcyclopropyl)-3-(methoxymethoxy)phenol is sourced from PubChem (CID 147825187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).