3-(3-naphthalen-2-yloxy-2-oxopropyl)sulfanylpropanoic acid

C16H16O4S — CID 10990343

IUPAC3-(3-naphthalen-2-yloxy-2-oxopropyl)sulfanylpropanoic acid
SMILESO=C(O)CCSCC(=O)COc1ccc2ccccc2c1
InChIInChI=1S/C16H16O4S/c17-14(11-21-8-7-16(18)19)10-20-15-6-5-12-3-1-2-4-13(12)9-15/h1-6,9H,7-8,10-11H2,(H,18,19)
InChIKeyFNRZQORTJHPGMM-UHFFFAOYSA-N
MW304.37 g/mol
LogP3.00
Rot. Bonds8

About 3-(3-naphthalen-2-yloxy-2-oxopropyl)sulfanylpropanoic acid

3-(3-naphthalen-2-yloxy-2-oxopropyl)sulfanylpropanoic acid (PubChem CID 10990343) has the molecular formula C16H16O4S and a molecular weight of 304.37 g/mol. Its IUPAC name is 3-(3-naphthalen-2-yloxy-2-oxopropyl)sulfanylpropanoic acid.

Molecular Properties

Compound Name3-(3-naphthalen-2-yloxy-2-oxopropyl)sulfanylpropanoic acid
PubChem CID10990343
Molecular FormulaC16H16O4S
Molecular Weight304.37 g/mol
Exact Mass304.08
IUPAC Name3-(3-naphthalen-2-yloxy-2-oxopropyl)sulfanylpropanoic acid
SMILESO=C(O)CCSCC(=O)COc1ccc2ccccc2c1
InChIInChI=1S/C16H16O4S/c17-14(11-21-8-7-16(18)19)10-20-15-6-5-12-3-1-2-4-13(12)9-15/h1-6,9H,7-8,10-11H2,(H,18,19)
InChIKeyFNRZQORTJHPGMM-UHFFFAOYSA-N
XLogP3.00
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-oxo-3-(4-phenoxyphenoxy)propyl]sulfanylpropanoic acid
CID 11035385
7-naphthalen-2-yloxyheptanoic acid
CID 39371628
4-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]-4-phenylbutanoic acid
CID 4247588
N-naphthalen-2-yl-2-naphthalen-2-yloxyacetamide
CID 879369
2-amino-3-(2-naphthalen-2-yloxyethylsulfanyl)propanoic acid
CID 43427140
3-methyl-4-naphthalen-2-yloxybut-2-enoic acid
CID 77005452
N'-(2-naphthalen-2-yloxyacetyl)-2-(4-phenylphenoxy)acetohydrazide
CID 4512962
2-amino-4-(2-naphthalen-2-yloxyethylsulfanyl)butanoic acid
CID 60929137
3-[methyl(3-naphthalen-2-yloxypropyl)amino]propanoic acid
CID 82224138
N-(3-naphthalen-2-yloxy-2-oxopropyl)naphthalene-2-carboxamide
CID 58138005
naphthalene;2-phenoxyacetic acid
CID 175275275
7-naphthalen-2-yloxyhept-1-en-2-ol;7-phenoxyheptanoic acid
CID 142555258

Frequently Asked Questions

What is the IUPAC name of 3-(3-naphthalen-2-yloxy-2-oxopropyl)sulfanylpropanoic acid?
The IUPAC name of 3-(3-naphthalen-2-yloxy-2-oxopropyl)sulfanylpropanoic acid (CID 10990343) is 3-(3-naphthalen-2-yloxy-2-oxopropyl)sulfanylpropanoic acid.
What is the SMILES notation for 3-(3-naphthalen-2-yloxy-2-oxopropyl)sulfanylpropanoic acid?
The canonical SMILES for 3-(3-naphthalen-2-yloxy-2-oxopropyl)sulfanylpropanoic acid is O=C(O)CCSCC(=O)COc1ccc2ccccc2c1.
What is the InChIKey of 3-(3-naphthalen-2-yloxy-2-oxopropyl)sulfanylpropanoic acid?
The InChIKey is FNRZQORTJHPGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4S/c17-14(11-21-8-7-16(18)19)10-20-15-6-5-12-3-1-2-4-13(12)9-15/h1-6,9H,7-8,10-11H2,(H,18,19).
What are the key properties of 3-(3-naphthalen-2-yloxy-2-oxopropyl)sulfanylpropanoic acid?
3-(3-naphthalen-2-yloxy-2-oxopropyl)sulfanylpropanoic acid has a molecular weight of 304.37 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-naphthalen-2-yloxy-2-oxopropyl)sulfanylpropanoic acid is sourced from PubChem (CID 10990343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).