methyl 1-(2-methoxy-4,5-dimethylphenyl)sulfanylcyclopropane-1-carboxylate

C14H18O3S — CID 117035105

IUPACmethyl 1-(2-methoxy-4,5-dimethylphenyl)sulfanylcyclopropane-1-carboxylate
SMILESCOC(=O)C1(Sc2cc(C)c(C)cc2OC)CC1
InChIInChI=1S/C14H18O3S/c1-9-7-11(16-3)12(8-10(9)2)18-14(5-6-14)13(15)17-4/h7-8H,5-6H2,1-4H3
InChIKeySQDKWENISBYWRT-UHFFFAOYSA-N
MW266.36 g/mol
LogP3.11
Rot. Bonds4

About methyl 1-(2-methoxy-4,5-dimethylphenyl)sulfanylcyclopropane-1-carboxylate

methyl 1-(2-methoxy-4,5-dimethylphenyl)sulfanylcyclopropane-1-carboxylate (PubChem CID 117035105) has the molecular formula C14H18O3S and a molecular weight of 266.36 g/mol. Its IUPAC name is methyl 1-(2-methoxy-4,5-dimethylphenyl)sulfanylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-methoxy-4,5-dimethylphenyl)sulfanylcyclopropane-1-carboxylate
PubChem CID117035105
Molecular FormulaC14H18O3S
Molecular Weight266.36 g/mol
Exact Mass266.10
IUPAC Namemethyl 1-(2-methoxy-4,5-dimethylphenyl)sulfanylcyclopropane-1-carboxylate
SMILESCOC(=O)C1(Sc2cc(C)c(C)cc2OC)CC1
InChIInChI=1S/C14H18O3S/c1-9-7-11(16-3)12(8-10(9)2)18-14(5-6-14)13(15)17-4/h7-8H,5-6H2,1-4H3
InChIKeySQDKWENISBYWRT-UHFFFAOYSA-N
XLogP3.11
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(3,4-dimethylphenyl)sulfanylcyclopropane-1-carboxylate
CID 117035088
methyl 1-(4-fluoro-2-methylphenyl)sulfanylcyclopropane-1-carboxylate
CID 117035096
methyl 1-(3-methylphenyl)sulfanylcyclopropane-1-carboxylate
CID 117035109
1-(4-methoxy-3-methylphenyl)sulfanylcyclopropane-1-carboxylic acid
CID 117032210
2-amino-3-(2-methoxy-4,5-dimethylphenyl)sulfanylpropanoic acid
CID 117034719
methyl 1-propan-2-ylsulfanylcyclopropane-1-carboxylate
CID 117035118
methyl 1-(2-methoxy-4,6-dimethylphenyl)cyclopropane-1-carboxylate
CID 116964011
(2-methoxy-4,5-dimethylphenyl)sulfanylmethanol
CID 117033384
1-(5-fluoro-2-methoxyphenyl)sulfanylcyclobutane-1-carboxylic acid
CID 116855414
methyl 1-(4-methoxy-3-methylbenzoyl)cyclobutane-1-carboxylate
CID 116922051
1-(2-methoxy-4,5-dimethylphenyl)sulfanyl-3-(methylamino)propan-2-ol
CID 112501254
methyl 1-(2,5-dimethoxy-3,4-dimethylphenyl)cyclopropane-1-carboxylate
CID 116964044

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-methoxy-4,5-dimethylphenyl)sulfanylcyclopropane-1-carboxylate?
The IUPAC name of methyl 1-(2-methoxy-4,5-dimethylphenyl)sulfanylcyclopropane-1-carboxylate (CID 117035105) is methyl 1-(2-methoxy-4,5-dimethylphenyl)sulfanylcyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-(2-methoxy-4,5-dimethylphenyl)sulfanylcyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-(2-methoxy-4,5-dimethylphenyl)sulfanylcyclopropane-1-carboxylate is COC(=O)C1(Sc2cc(C)c(C)cc2OC)CC1.
What is the InChIKey of methyl 1-(2-methoxy-4,5-dimethylphenyl)sulfanylcyclopropane-1-carboxylate?
The InChIKey is SQDKWENISBYWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3S/c1-9-7-11(16-3)12(8-10(9)2)18-14(5-6-14)13(15)17-4/h7-8H,5-6H2,1-4H3.
What are the key properties of methyl 1-(2-methoxy-4,5-dimethylphenyl)sulfanylcyclopropane-1-carboxylate?
methyl 1-(2-methoxy-4,5-dimethylphenyl)sulfanylcyclopropane-1-carboxylate has a molecular weight of 266.36 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-methoxy-4,5-dimethylphenyl)sulfanylcyclopropane-1-carboxylate is sourced from PubChem (CID 117035105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).