methyl 2-(6-methylsulfanylnaphthalen-2-yl)propanoate

C15H16O2S — CID 21412612

IUPACmethyl 2-(6-methylsulfanylnaphthalen-2-yl)propanoate
SMILESCOC(=O)C(C)c1ccc2cc(SC)ccc2c1
InChIInChI=1S/C15H16O2S/c1-10(15(16)17-2)11-4-5-13-9-14(18-3)7-6-12(13)8-11/h4-10H,1-3H3
InChIKeyIMXPVBWBIFOAPB-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.84
Rot. Bonds3

About methyl 2-(6-methylsulfanylnaphthalen-2-yl)propanoate

methyl 2-(6-methylsulfanylnaphthalen-2-yl)propanoate (PubChem CID 21412612) has the molecular formula C15H16O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is methyl 2-(6-methylsulfanylnaphthalen-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(6-methylsulfanylnaphthalen-2-yl)propanoate
PubChem CID21412612
Molecular FormulaC15H16O2S
Molecular Weight260.36 g/mol
Exact Mass260.09
IUPAC Namemethyl 2-(6-methylsulfanylnaphthalen-2-yl)propanoate
SMILESCOC(=O)C(C)c1ccc2cc(SC)ccc2c1
InChIInChI=1S/C15H16O2S/c1-10(15(16)17-2)11-4-5-13-9-14(18-3)7-6-12(13)8-11/h4-10H,1-3H3
InChIKeyIMXPVBWBIFOAPB-UHFFFAOYSA-N
XLogP3.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(6-fluoronaphthalen-2-yl)propanoate
CID 70591707
methyl 2-(6-bromonaphthalen-2-yl)propanoate
CID 154165948
sodium 2-(6-methylsulfanylnaphthalen-2-yl)propanoate
CID 70590428
methyl 2-(3-chloro-4-methylsulfanylphenyl)propanoate
CID 70816255
methyl 2-[6-(2-methoxy-2-oxoethoxy)naphthalen-2-yl]propanoate
CID 59253984
methyl 2-(3,4-dichlorophenyl)propanoate
CID 11402033
methyl 2-(1-methyl-2-oxo-4-pyridinyl)propanoate
CID 131068707
chloro (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 90693422
methyl 2-(1H-indazol-6-yl)propanoate
CID 70809324
methyl 2-(4-aminophenyl)propanoate
CID 3016109
methyl 2-(3-bromo-4-chlorophenyl)propanoate
CID 105426693
prop-2-ynyl 2-(6-methoxynaphthalen-2-yl)propanoate
CID 500306

Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-methylsulfanylnaphthalen-2-yl)propanoate?
The IUPAC name of methyl 2-(6-methylsulfanylnaphthalen-2-yl)propanoate (CID 21412612) is methyl 2-(6-methylsulfanylnaphthalen-2-yl)propanoate.
What is the SMILES notation for methyl 2-(6-methylsulfanylnaphthalen-2-yl)propanoate?
The canonical SMILES for methyl 2-(6-methylsulfanylnaphthalen-2-yl)propanoate is COC(=O)C(C)c1ccc2cc(SC)ccc2c1.
What is the InChIKey of methyl 2-(6-methylsulfanylnaphthalen-2-yl)propanoate?
The InChIKey is IMXPVBWBIFOAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2S/c1-10(15(16)17-2)11-4-5-13-9-14(18-3)7-6-12(13)8-11/h4-10H,1-3H3.
What are the key properties of methyl 2-(6-methylsulfanylnaphthalen-2-yl)propanoate?
methyl 2-(6-methylsulfanylnaphthalen-2-yl)propanoate has a molecular weight of 260.36 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-methylsulfanylnaphthalen-2-yl)propanoate is sourced from PubChem (CID 21412612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).