methyl 1-(3-ethyl-4-methoxyphenyl)-2-methylcyclopropane-1-carboxylate

C15H20O3 — CID 116842963

IUPACmethyl 1-(3-ethyl-4-methoxyphenyl)-2-methylcyclopropane-1-carboxylate
SMILESCCc1cc(C2(C(=O)OC)CC2C)ccc1OC
InChIInChI=1S/C15H20O3/c1-5-11-8-12(6-7-13(11)17-3)15(9-10(15)2)14(16)18-4/h6-8,10H,5,9H2,1-4H3
InChIKeyKTUPVVKMANRVEF-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.71
Rot. Bonds4

About methyl 1-(3-ethyl-4-methoxyphenyl)-2-methylcyclopropane-1-carboxylate

methyl 1-(3-ethyl-4-methoxyphenyl)-2-methylcyclopropane-1-carboxylate (PubChem CID 116842963) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is methyl 1-(3-ethyl-4-methoxyphenyl)-2-methylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-ethyl-4-methoxyphenyl)-2-methylcyclopropane-1-carboxylate
PubChem CID116842963
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Namemethyl 1-(3-ethyl-4-methoxyphenyl)-2-methylcyclopropane-1-carboxylate
SMILESCCc1cc(C2(C(=O)OC)CC2C)ccc1OC
InChIInChI=1S/C15H20O3/c1-5-11-8-12(6-7-13(11)17-3)15(9-10(15)2)14(16)18-4/h6-8,10H,5,9H2,1-4H3
InChIKeyKTUPVVKMANRVEF-UHFFFAOYSA-N
XLogP2.71
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-(4-ethoxy-3-methylphenyl)-2-methylcyclopropane-1-carboxylate
CID 116842967
methyl 1-(3,4-difluorophenyl)-2-methylcyclopropane-1-carboxylate
CID 116842958
methyl 2-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropane-1-carboxylate
CID 116842922
1-(3-ethyl-4-methoxyphenyl)cyclopropan-1-amine
CID 82281442
2-(3-ethyl-4-methoxyphenyl)-2-methylcyclopropane-1-carbonitrile
CID 116841836
methyl 1-[(3-ethyl-4-methoxyphenyl)methyl]cyclobutane-1-carboxylate
CID 116929708
1-[[(3-ethyl-4-methoxyphenyl)methylamino]methyl]cyclopropane-1-carboxylic acid
CID 115242923
methyl 3-(3-ethyl-4-methoxyphenyl)-3-oxopropanoate
CID 95452456
[4-(3-ethyl-4-methoxyphenyl)piperidin-4-yl]methanol
CID 82480668
[4-(3-ethyl-4-methoxyphenyl)-1-methylpiperidin-4-yl]methanol
CID 82091322
4-[1-(chloromethyl)cyclohexyl]-2-ethyl-1-methoxybenzene
CID 82092119
N-cyclopropyl-3-ethyl-4-methoxybenzamide
CID 110761892

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-ethyl-4-methoxyphenyl)-2-methylcyclopropane-1-carboxylate?
The IUPAC name of methyl 1-(3-ethyl-4-methoxyphenyl)-2-methylcyclopropane-1-carboxylate (CID 116842963) is methyl 1-(3-ethyl-4-methoxyphenyl)-2-methylcyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-(3-ethyl-4-methoxyphenyl)-2-methylcyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-(3-ethyl-4-methoxyphenyl)-2-methylcyclopropane-1-carboxylate is CCc1cc(C2(C(=O)OC)CC2C)ccc1OC.
What is the InChIKey of methyl 1-(3-ethyl-4-methoxyphenyl)-2-methylcyclopropane-1-carboxylate?
The InChIKey is KTUPVVKMANRVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-5-11-8-12(6-7-13(11)17-3)15(9-10(15)2)14(16)18-4/h6-8,10H,5,9H2,1-4H3.
What are the key properties of methyl 1-(3-ethyl-4-methoxyphenyl)-2-methylcyclopropane-1-carboxylate?
methyl 1-(3-ethyl-4-methoxyphenyl)-2-methylcyclopropane-1-carboxylate has a molecular weight of 248.32 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-ethyl-4-methoxyphenyl)-2-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 116842963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).