methyl 5-[2-methyl-5-(trimethyl-λ4-sulfanyl)phenoxy]furan-2-carboxylate

C16H20O4S — CID 143243304

IUPACmethyl 5-[2-methyl-5-(trimethyl-λ4-sulfanyl)phenoxy]furan-2-carboxylate
SMILESCOC(=O)c1ccc(Oc2cc(S(C)(C)C)ccc2C)o1
InChIInChI=1S/C16H20O4S/c1-11-6-7-12(21(3,4)5)10-14(11)20-15-9-8-13(19-15)16(17)18-2/h6-10H,1-5H3
InChIKeyCIWJXUBRCYOKLZ-UHFFFAOYSA-N
MW308.40 g/mol
LogP4.22
Rot. Bonds4

About methyl 5-[2-methyl-5-(trimethyl-λ4-sulfanyl)phenoxy]furan-2-carboxylate

methyl 5-[2-methyl-5-(trimethyl-λ4-sulfanyl)phenoxy]furan-2-carboxylate (PubChem CID 143243304) has the molecular formula C16H20O4S and a molecular weight of 308.40 g/mol. Its IUPAC name is methyl 5-[2-methyl-5-(trimethyl-λ4-sulfanyl)phenoxy]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[2-methyl-5-(trimethyl-λ4-sulfanyl)phenoxy]furan-2-carboxylate
PubChem CID143243304
Molecular FormulaC16H20O4S
Molecular Weight308.40 g/mol
Exact Mass308.11
IUPAC Namemethyl 5-[2-methyl-5-(trimethyl-λ4-sulfanyl)phenoxy]furan-2-carboxylate
SMILESCOC(=O)c1ccc(Oc2cc(S(C)(C)C)ccc2C)o1
InChIInChI=1S/C16H20O4S/c1-11-6-7-12(21(3,4)5)10-14(11)20-15-9-8-13(19-15)16(17)18-2/h6-10H,1-5H3
InChIKeyCIWJXUBRCYOKLZ-UHFFFAOYSA-N
XLogP4.22
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-(3-methoxycarbonylphenoxy)furan-2-carboxylate
CID 12756460
2-(5-methoxycarbonylfuran-2-yl)oxybenzoic acid
CID 10563400
methyl 5-(2,4-dibromo-5-tert-butylphenoxy)furan-2-carboxylate
CID 142192083
N-[2-[3-(dipropylamino)propylamino]-4,6-dimethoxypyrimidin-5-yl]-5-[5-[ethyl(dimethyl)-λ4-sulfanyl]-2-methylphenoxy]furan-2-carboxamide
CID 142986331
methyl 5-(2-azidophenoxy)furan-2-carboxylate
CID 12748629
methyl 5-[4-(2-oxopropyl)phenoxy]furan-2-carboxylate
CID 19874529
N-[2-(3,5-dimethoxyphenyl)ethyl]-5-(2-methyl-5-propan-2-ylphenoxy)furan-2-carboxamide
CID 21047059
methyl 5-(2-phenylmethoxycarbonylphenoxy)furan-2-carboxylate
CID 10665664
N-(2,6-dimethoxyphenyl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxy]furan-2-carboxamide
CID 10139658
N-[2-(2-methoxyphenyl)ethyl]-5-(2-methyl-5-propan-2-ylphenoxy)furan-2-carboxamide
CID 21046251
5-[2-methyl-4,5-bis(trimethylsilyl)phenoxy]-N-(2,4,6-trimethoxyphenyl)furan-2-carboxamide
CID 11329981
4-bromo-2-methylphenol;1-[5-[2-methyl-4,5-bis(trimethylsilyl)phenoxy]furan-2-yl]ethanone;methyl 5-bromofuran-2-carboxylate;methyl 5-(2-methyl-4-trimethylsilylphenoxy)furan-2-carboxylate;2-methyl-4-trimethylsilylphenol
CID 161464479

Frequently Asked Questions

What is the IUPAC name of methyl 5-[2-methyl-5-(trimethyl-λ4-sulfanyl)phenoxy]furan-2-carboxylate?
The IUPAC name of methyl 5-[2-methyl-5-(trimethyl-λ4-sulfanyl)phenoxy]furan-2-carboxylate (CID 143243304) is methyl 5-[2-methyl-5-(trimethyl-λ4-sulfanyl)phenoxy]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[2-methyl-5-(trimethyl-λ4-sulfanyl)phenoxy]furan-2-carboxylate?
The canonical SMILES for methyl 5-[2-methyl-5-(trimethyl-λ4-sulfanyl)phenoxy]furan-2-carboxylate is COC(=O)c1ccc(Oc2cc(S(C)(C)C)ccc2C)o1.
What is the InChIKey of methyl 5-[2-methyl-5-(trimethyl-λ4-sulfanyl)phenoxy]furan-2-carboxylate?
The InChIKey is CIWJXUBRCYOKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O4S/c1-11-6-7-12(21(3,4)5)10-14(11)20-15-9-8-13(19-15)16(17)18-2/h6-10H,1-5H3.
What are the key properties of methyl 5-[2-methyl-5-(trimethyl-λ4-sulfanyl)phenoxy]furan-2-carboxylate?
methyl 5-[2-methyl-5-(trimethyl-λ4-sulfanyl)phenoxy]furan-2-carboxylate has a molecular weight of 308.40 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[2-methyl-5-(trimethyl-λ4-sulfanyl)phenoxy]furan-2-carboxylate is sourced from PubChem (CID 143243304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).