methyl 2-[1-[2-(4-methoxyphenyl)ethylsulfinylmethyl]cyclopropyl]acetate

C16H22O4S — CID 107777867

IUPACmethyl 2-[1-[2-(4-methoxyphenyl)ethylsulfinylmethyl]cyclopropyl]acetate
SMILESCOC(=O)CC1(CS(=O)CCc2ccc(OC)cc2)CC1
InChIInChI=1S/C16H22O4S/c1-19-14-5-3-13(4-6-14)7-10-21(18)12-16(8-9-16)11-15(17)20-2/h3-6H,7-12H2,1-2H3
InChIKeyQNCIIVMDRDJLSE-UHFFFAOYSA-N
MW310.41 g/mol
LogP2.33
Rot. Bonds8

About methyl 2-[1-[2-(4-methoxyphenyl)ethylsulfinylmethyl]cyclopropyl]acetate

methyl 2-[1-[2-(4-methoxyphenyl)ethylsulfinylmethyl]cyclopropyl]acetate (PubChem CID 107777867) has the molecular formula C16H22O4S and a molecular weight of 310.41 g/mol. Its IUPAC name is methyl 2-[1-[2-(4-methoxyphenyl)ethylsulfinylmethyl]cyclopropyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[2-(4-methoxyphenyl)ethylsulfinylmethyl]cyclopropyl]acetate
PubChem CID107777867
Molecular FormulaC16H22O4S
Molecular Weight310.41 g/mol
Exact Mass310.12
IUPAC Namemethyl 2-[1-[2-(4-methoxyphenyl)ethylsulfinylmethyl]cyclopropyl]acetate
SMILESCOC(=O)CC1(CS(=O)CCc2ccc(OC)cc2)CC1
InChIInChI=1S/C16H22O4S/c1-19-14-5-3-13(4-6-14)7-10-21(18)12-16(8-9-16)11-15(17)20-2/h3-6H,7-12H2,1-2H3
InChIKeyQNCIIVMDRDJLSE-UHFFFAOYSA-N
XLogP2.33
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.41
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[1-[(4-methoxyphenyl)methylsulfonylmethyl]cyclopropyl]acetate
CID 107776739
methyl 2-[1-(2-methylsulfonylethylsulfinylmethyl)cyclopropyl]acetate
CID 107777735
methyl 2-[1-(heptylsulfinylmethyl)cyclopropyl]acetate
CID 107777793
methyl 2-[1-[(2,6-dimethylphenyl)methylsulfinylmethyl]cyclopropyl]acetate
CID 107777825
methyl 2-[1-[2-(diethylamino)ethylsulfinylmethyl]cyclopropyl]acetate
CID 107777806
(4-methoxyphenyl)methyl 2-[1-(iodomethyl)cyclopropyl]acetate
CID 159308487
methyl 2-[1-[(2-carbamoylphenyl)methylsulfinylmethyl]cyclopropyl]acetate
CID 107777756
methyl 2-[1-[(1-methylpyrazol-4-yl)methylsulfinylmethyl]cyclopropyl]acetate
CID 107777810
methyl 2-[1-[(2-chloro-4-methylphenyl)methylsulfinylmethyl]cyclopropyl]acetate
CID 107778041
methyl 2-[1-[(2-nitrophenyl)methylsulfinylmethyl]cyclopropyl]acetate
CID 107777796
1-N,1-N'-bis[2-(4-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977727
methyl 2-[1-[(2-methyltetrazol-5-yl)methylsulfinylmethyl]cyclopropyl]acetate
CID 107777875

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[2-(4-methoxyphenyl)ethylsulfinylmethyl]cyclopropyl]acetate?
The IUPAC name of methyl 2-[1-[2-(4-methoxyphenyl)ethylsulfinylmethyl]cyclopropyl]acetate (CID 107777867) is methyl 2-[1-[2-(4-methoxyphenyl)ethylsulfinylmethyl]cyclopropyl]acetate.
What is the SMILES notation for methyl 2-[1-[2-(4-methoxyphenyl)ethylsulfinylmethyl]cyclopropyl]acetate?
The canonical SMILES for methyl 2-[1-[2-(4-methoxyphenyl)ethylsulfinylmethyl]cyclopropyl]acetate is COC(=O)CC1(CS(=O)CCc2ccc(OC)cc2)CC1.
What is the InChIKey of methyl 2-[1-[2-(4-methoxyphenyl)ethylsulfinylmethyl]cyclopropyl]acetate?
The InChIKey is QNCIIVMDRDJLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O4S/c1-19-14-5-3-13(4-6-14)7-10-21(18)12-16(8-9-16)11-15(17)20-2/h3-6H,7-12H2,1-2H3.
What are the key properties of methyl 2-[1-[2-(4-methoxyphenyl)ethylsulfinylmethyl]cyclopropyl]acetate?
methyl 2-[1-[2-(4-methoxyphenyl)ethylsulfinylmethyl]cyclopropyl]acetate has a molecular weight of 310.41 g/mol, XLogP of 2.33, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[2-(4-methoxyphenyl)ethylsulfinylmethyl]cyclopropyl]acetate is sourced from PubChem (CID 107777867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).