1-(5-ethoxy-2,4-dimethoxyphenyl)cyclopropan-1-ol

C13H18O4 — CID 117349200

IUPAC1-(5-ethoxy-2,4-dimethoxyphenyl)cyclopropan-1-ol
SMILESCCOc1cc(C2(O)CC2)c(OC)cc1OC
InChIInChI=1S/C13H18O4/c1-4-17-12-7-9(13(14)5-6-13)10(15-2)8-11(12)16-3/h7-8,14H,4-6H2,1-3H3
InChIKeyZGLGVRRVTRVYDZ-UHFFFAOYSA-N
MW238.28 g/mol
LogP2.08
Rot. Bonds5

About 1-(5-ethoxy-2,4-dimethoxyphenyl)cyclopropan-1-ol

1-(5-ethoxy-2,4-dimethoxyphenyl)cyclopropan-1-ol (PubChem CID 117349200) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is 1-(5-ethoxy-2,4-dimethoxyphenyl)cyclopropan-1-ol.

Molecular Properties

Compound Name1-(5-ethoxy-2,4-dimethoxyphenyl)cyclopropan-1-ol
PubChem CID117349200
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name1-(5-ethoxy-2,4-dimethoxyphenyl)cyclopropan-1-ol
SMILESCCOc1cc(C2(O)CC2)c(OC)cc1OC
InChIInChI=1S/C13H18O4/c1-4-17-12-7-9(13(14)5-6-13)10(15-2)8-11(12)16-3/h7-8,14H,4-6H2,1-3H3
InChIKeyZGLGVRRVTRVYDZ-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(5-ethoxy-2,4-dimethoxyphenyl)cyclopropyl]methanamine
CID 117381664
1-(2,5-dimethoxy-4-propan-2-yloxyphenyl)cyclopropan-1-ol
CID 117384091
1-(2-bromo-4,5-dimethoxyphenyl)cyclopropan-1-ol
CID 117435002
5-(1-hydroxycyclopropyl)-2,4-dimethoxybenzoic acid
CID 117348722
(4-ethoxy-2,5-dimethoxyphenyl)boronic acid
CID 164893391
1-[2-(hydroxymethyl)-4,5-dimethoxyphenyl]cyclopentan-1-ol
CID 908982
1-[2-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]cyclopropan-1-ol
CID 117389108
1-(2-methoxy-4-methylphenyl)cyclopropan-1-ol
CID 117277830
1-(4-bromo-5-fluoro-2-methoxyphenyl)cyclopropan-1-ol
CID 84806667
1-(5-ethoxy-2-methoxy-4-methylphenyl)cyclobutan-1-amine
CID 117343241
5-fluoro-2-(1-hydroxycyclopropyl)-4-methoxyphenol
CID 117287689
1-(4-fluoro-5-methoxy-2-methylphenyl)cyclopropan-1-ol
CID 84773917

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethoxy-2,4-dimethoxyphenyl)cyclopropan-1-ol?
The IUPAC name of 1-(5-ethoxy-2,4-dimethoxyphenyl)cyclopropan-1-ol (CID 117349200) is 1-(5-ethoxy-2,4-dimethoxyphenyl)cyclopropan-1-ol.
What is the SMILES notation for 1-(5-ethoxy-2,4-dimethoxyphenyl)cyclopropan-1-ol?
The canonical SMILES for 1-(5-ethoxy-2,4-dimethoxyphenyl)cyclopropan-1-ol is CCOc1cc(C2(O)CC2)c(OC)cc1OC.
What is the InChIKey of 1-(5-ethoxy-2,4-dimethoxyphenyl)cyclopropan-1-ol?
The InChIKey is ZGLGVRRVTRVYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-4-17-12-7-9(13(14)5-6-13)10(15-2)8-11(12)16-3/h7-8,14H,4-6H2,1-3H3.
What are the key properties of 1-(5-ethoxy-2,4-dimethoxyphenyl)cyclopropan-1-ol?
1-(5-ethoxy-2,4-dimethoxyphenyl)cyclopropan-1-ol has a molecular weight of 238.28 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethoxy-2,4-dimethoxyphenyl)cyclopropan-1-ol is sourced from PubChem (CID 117349200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).