methyl 1-(4-ethoxy-3-methylphenyl)-2-methylcyclopropane-1-carboxylate

C15H20O3 — CID 116842967

IUPACmethyl 1-(4-ethoxy-3-methylphenyl)-2-methylcyclopropane-1-carboxylate
SMILESCCOc1ccc(C2(C(=O)OC)CC2C)cc1C
InChIInChI=1S/C15H20O3/c1-5-18-13-7-6-12(8-10(13)2)15(9-11(15)3)14(16)17-4/h6-8,11H,5,9H2,1-4H3
InChIKeyTUPGQTFBUDNVKW-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.84
Rot. Bonds4

About methyl 1-(4-ethoxy-3-methylphenyl)-2-methylcyclopropane-1-carboxylate

methyl 1-(4-ethoxy-3-methylphenyl)-2-methylcyclopropane-1-carboxylate (PubChem CID 116842967) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is methyl 1-(4-ethoxy-3-methylphenyl)-2-methylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-ethoxy-3-methylphenyl)-2-methylcyclopropane-1-carboxylate
PubChem CID116842967
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Namemethyl 1-(4-ethoxy-3-methylphenyl)-2-methylcyclopropane-1-carboxylate
SMILESCCOc1ccc(C2(C(=O)OC)CC2C)cc1C
InChIInChI=1S/C15H20O3/c1-5-18-13-7-6-12(8-10(13)2)15(9-11(15)3)14(16)17-4/h6-8,11H,5,9H2,1-4H3
InChIKeyTUPGQTFBUDNVKW-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-(3-ethyl-4-methoxyphenyl)-2-methylcyclopropane-1-carboxylate
CID 116842963
methyl 1-(3,4-difluorophenyl)-2-methylcyclopropane-1-carboxylate
CID 116842958
1-(4-ethoxy-3-methylphenyl)cyclopropane-1-carboxylic acid
CID 82286246
methyl 1-[(4-ethoxy-3-methylanilino)methyl]cyclopropane-1-carboxylate
CID 115247424
1-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]propan-2-one
CID 116873822
cis-(1S,3S)-N-(4-ethoxy-3-methylphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide
CID 100707022
N-[[1-(4-ethoxy-3-methylphenyl)cyclopropyl]methyl]propan-2-amine
CID 112518586
methyl (4R)-4-(4-ethoxy-3-methylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 885753
2-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]propanoic acid
CID 116872058
2-amino-2-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]acetic acid
CID 116874334
methyl 3-(3-ethoxy-4-methoxyphenyl)oxetane-3-carboxylate
CID 116989348
5-(4-ethoxy-3-methylphenyl)-5-methylpiperazine-2,3-dione
CID 116856127

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-ethoxy-3-methylphenyl)-2-methylcyclopropane-1-carboxylate?
The IUPAC name of methyl 1-(4-ethoxy-3-methylphenyl)-2-methylcyclopropane-1-carboxylate (CID 116842967) is methyl 1-(4-ethoxy-3-methylphenyl)-2-methylcyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-(4-ethoxy-3-methylphenyl)-2-methylcyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-(4-ethoxy-3-methylphenyl)-2-methylcyclopropane-1-carboxylate is CCOc1ccc(C2(C(=O)OC)CC2C)cc1C.
What is the InChIKey of methyl 1-(4-ethoxy-3-methylphenyl)-2-methylcyclopropane-1-carboxylate?
The InChIKey is TUPGQTFBUDNVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-5-18-13-7-6-12(8-10(13)2)15(9-11(15)3)14(16)17-4/h6-8,11H,5,9H2,1-4H3.
What are the key properties of methyl 1-(4-ethoxy-3-methylphenyl)-2-methylcyclopropane-1-carboxylate?
methyl 1-(4-ethoxy-3-methylphenyl)-2-methylcyclopropane-1-carboxylate has a molecular weight of 248.32 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-ethoxy-3-methylphenyl)-2-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 116842967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).