methyl 2-[2-(5-chloro-2,4-dimethoxyphenyl)ethyl]cyclopropane-1-carboxylate

C15H19ClO4 — CID 83943377

IUPACmethyl 2-[2-(5-chloro-2,4-dimethoxyphenyl)ethyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1CC1CCc1cc(Cl)c(OC)cc1OC
InChIInChI=1S/C15H19ClO4/c1-18-13-8-14(19-2)12(16)7-10(13)5-4-9-6-11(9)15(17)20-3/h7-9,11H,4-6H2,1-3H3
InChIKeyIICGUCRQIBOYPY-UHFFFAOYSA-N
MW298.77 g/mol
LogP3.10
Rot. Bonds6

About methyl 2-[2-(5-chloro-2,4-dimethoxyphenyl)ethyl]cyclopropane-1-carboxylate

methyl 2-[2-(5-chloro-2,4-dimethoxyphenyl)ethyl]cyclopropane-1-carboxylate (PubChem CID 83943377) has the molecular formula C15H19ClO4 and a molecular weight of 298.77 g/mol. Its IUPAC name is methyl 2-[2-(5-chloro-2,4-dimethoxyphenyl)ethyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-(5-chloro-2,4-dimethoxyphenyl)ethyl]cyclopropane-1-carboxylate
PubChem CID83943377
Molecular FormulaC15H19ClO4
Molecular Weight298.77 g/mol
Exact Mass298.10
IUPAC Namemethyl 2-[2-(5-chloro-2,4-dimethoxyphenyl)ethyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1CC1CCc1cc(Cl)c(OC)cc1OC
InChIInChI=1S/C15H19ClO4/c1-18-13-8-14(19-2)12(16)7-10(13)5-4-9-6-11(9)15(17)20-3/h7-9,11H,4-6H2,1-3H3
InChIKeyIICGUCRQIBOYPY-UHFFFAOYSA-N
XLogP3.10
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[2-(2,5-dimethoxyphenyl)ethyl]cyclopropane-1-carboxylate
CID 83938289
2-[2-(5-chloro-2,4-dimethoxyphenyl)ethyl]oxirane
CID 83943345
methyl 2-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]cyclopropane-1-carboxylate
CID 83940906
cis-methyl (1S,2R)-2-(2-hydroxyethyl)cyclopropane-1-carboxylate
CID 96536470
trans-methyl (1R,2R)-2-(2-hydroxyethyl)cyclopropane-1-carboxylate
CID 13005722
methyl 2-[2-(3,5-dimethyl-2-propoxyphenyl)ethyl]cyclopropane-1-carboxylate
CID 83942262
2-[2-(4-chloro-2,5-dimethoxyphenyl)ethyl]oxirane
CID 83943215
1-chloro-5-(chloromethyl)-2,4-dimethoxybenzene
CID 82645011
trans-(1R,2R)-N-(5-chloro-2,4-dimethoxyphenyl)-2-methylcyclopropane-1-carboxamide
CID 26210573
trans-(1S,2S)-N-(5-chloro-2,4-dimethoxyphenyl)-2-methylcyclopropane-1-carboxamide
CID 26210572
2-(2,5-dichloro-4-methoxyphenyl)acetic acid
CID 5202225
methyl 2-[2-(5-chloro-2-methoxy-3,6-dimethylphenyl)propyl]cyclopropane-1-carboxylate
CID 83940553

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(5-chloro-2,4-dimethoxyphenyl)ethyl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 2-[2-(5-chloro-2,4-dimethoxyphenyl)ethyl]cyclopropane-1-carboxylate (CID 83943377) is methyl 2-[2-(5-chloro-2,4-dimethoxyphenyl)ethyl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 2-[2-(5-chloro-2,4-dimethoxyphenyl)ethyl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 2-[2-(5-chloro-2,4-dimethoxyphenyl)ethyl]cyclopropane-1-carboxylate is COC(=O)C1CC1CCc1cc(Cl)c(OC)cc1OC.
What is the InChIKey of methyl 2-[2-(5-chloro-2,4-dimethoxyphenyl)ethyl]cyclopropane-1-carboxylate?
The InChIKey is IICGUCRQIBOYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClO4/c1-18-13-8-14(19-2)12(16)7-10(13)5-4-9-6-11(9)15(17)20-3/h7-9,11H,4-6H2,1-3H3.
What are the key properties of methyl 2-[2-(5-chloro-2,4-dimethoxyphenyl)ethyl]cyclopropane-1-carboxylate?
methyl 2-[2-(5-chloro-2,4-dimethoxyphenyl)ethyl]cyclopropane-1-carboxylate has a molecular weight of 298.77 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(5-chloro-2,4-dimethoxyphenyl)ethyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 83943377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).