methyl 2-[2-(4-ethoxy-3-methoxyphenyl)propyl]cyclopropane-1-carboxylate

C17H24O4 — CID 83938424

IUPACmethyl 2-[2-(4-ethoxy-3-methoxyphenyl)propyl]cyclopropane-1-carboxylate
SMILESCCOc1ccc(C(C)CC2CC2C(=O)OC)cc1OC
InChIInChI=1S/C17H24O4/c1-5-21-15-7-6-12(10-16(15)19-3)11(2)8-13-9-14(13)17(18)20-4/h6-7,10-11,13-14H,5,8-9H2,1-4H3
InChIKeyPZLTYRJQQGOTIF-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.40
Rot. Bonds7

About methyl 2-[2-(4-ethoxy-3-methoxyphenyl)propyl]cyclopropane-1-carboxylate

methyl 2-[2-(4-ethoxy-3-methoxyphenyl)propyl]cyclopropane-1-carboxylate (PubChem CID 83938424) has the molecular formula C17H24O4 and a molecular weight of 292.38 g/mol. Its IUPAC name is methyl 2-[2-(4-ethoxy-3-methoxyphenyl)propyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-(4-ethoxy-3-methoxyphenyl)propyl]cyclopropane-1-carboxylate
PubChem CID83938424
Molecular FormulaC17H24O4
Molecular Weight292.38 g/mol
Exact Mass292.17
IUPAC Namemethyl 2-[2-(4-ethoxy-3-methoxyphenyl)propyl]cyclopropane-1-carboxylate
SMILESCCOc1ccc(C(C)CC2CC2C(=O)OC)cc1OC
InChIInChI=1S/C17H24O4/c1-5-21-15-7-6-12(10-16(15)19-3)11(2)8-13-9-14(13)17(18)20-4/h6-7,10-11,13-14H,5,8-9H2,1-4H3
InChIKeyPZLTYRJQQGOTIF-UHFFFAOYSA-N
XLogP3.40
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[2-(2-methoxyphenyl)propyl]cyclopropane-1-carboxylate
CID 83929095
methyl 2-[2-(3-bromo-4-ethylphenyl)propyl]cyclopropane-1-carboxylate
CID 83921729
methyl 2-[2-(4-hydroxyphenyl)propyl]cyclopropane-1-carboxylate
CID 83930458
methyl 2-[2-(4-ethylsulfonylphenyl)propyl]cyclopropane-1-carboxylate
CID 83927264
methyl 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]cyclopropane-1-carboxylate
CID 83922196
methyl 2-[2-(4-tert-butylphenyl)propyl]cyclopropane-1-carboxylate
CID 83928797
5-(4-ethoxy-3-methoxyphenyl)hexan-2-one
CID 83938305
2-(4-ethoxy-3-methoxyphenyl)propanal
CID 134639564
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]cyclobutanecarboxamide
CID 42958517
methyl 2-[2-[2-(2-methylpropoxy)phenyl]butyl]cyclopropane-1-carboxylate
CID 83932519
3-(4-ethoxy-3-methoxyphenyl)butane-1-thiol
CID 83938307
methyl 2-[2-(3-methoxy-4-propoxyphenyl)ethyl]cyclopropane-1-carboxylate
CID 83938540

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(4-ethoxy-3-methoxyphenyl)propyl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 2-[2-(4-ethoxy-3-methoxyphenyl)propyl]cyclopropane-1-carboxylate (CID 83938424) is methyl 2-[2-(4-ethoxy-3-methoxyphenyl)propyl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 2-[2-(4-ethoxy-3-methoxyphenyl)propyl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 2-[2-(4-ethoxy-3-methoxyphenyl)propyl]cyclopropane-1-carboxylate is CCOc1ccc(C(C)CC2CC2C(=O)OC)cc1OC.
What is the InChIKey of methyl 2-[2-(4-ethoxy-3-methoxyphenyl)propyl]cyclopropane-1-carboxylate?
The InChIKey is PZLTYRJQQGOTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O4/c1-5-21-15-7-6-12(10-16(15)19-3)11(2)8-13-9-14(13)17(18)20-4/h6-7,10-11,13-14H,5,8-9H2,1-4H3.
What are the key properties of methyl 2-[2-(4-ethoxy-3-methoxyphenyl)propyl]cyclopropane-1-carboxylate?
methyl 2-[2-(4-ethoxy-3-methoxyphenyl)propyl]cyclopropane-1-carboxylate has a molecular weight of 292.38 g/mol, XLogP of 3.40, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(4-ethoxy-3-methoxyphenyl)propyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 83938424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).