2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-thiophen-2-ylpropanoyl chloride

C18H19ClOS — CID 117048916

IUPAC2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-thiophen-2-ylpropanoyl chloride
SMILESCC(Cc1cccs1)(C(=O)Cl)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H19ClOS/c1-18(17(19)20,12-16-7-4-10-21-16)15-9-8-13-5-2-3-6-14(13)11-15/h4,7-11H,2-3,5-6,12H2,1H3
InChIKeyKNBDGFVJIOFUPA-UHFFFAOYSA-N
MW318.87 g/mol
LogP4.89
Rot. Bonds4

About 2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-thiophen-2-ylpropanoyl chloride

2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-thiophen-2-ylpropanoyl chloride (PubChem CID 117048916) has the molecular formula C18H19ClOS and a molecular weight of 318.87 g/mol. Its IUPAC name is 2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-thiophen-2-ylpropanoyl chloride.

Molecular Properties

Compound Name2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-thiophen-2-ylpropanoyl chloride
PubChem CID117048916
Molecular FormulaC18H19ClOS
Molecular Weight318.87 g/mol
Exact Mass318.08
IUPAC Name2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-thiophen-2-ylpropanoyl chloride
SMILESCC(Cc1cccs1)(C(=O)Cl)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H19ClOS/c1-18(17(19)20,12-16-7-4-10-21-16)15-9-8-13-5-2-3-6-14(13)11-15/h4,7-11H,2-3,5-6,12H2,1H3
InChIKeyKNBDGFVJIOFUPA-UHFFFAOYSA-N
XLogP4.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.87
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-hydroxyphenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride
CID 117048933
2-(4-chlorophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride
CID 117048938
2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)pent-4-enoic acid
CID 117049182
N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-thiophen-2-ylacetamide
CID 99779947
ethyl 2-methyl-2-naphthalen-2-yl-3-thiophen-2-ylpropanoate
CID 117048785
2-methyl-2-(2-nitrophenyl)-3-thiophen-2-ylpropanoyl chloride
CID 117048935
N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-2-thiophen-2-ylacetamide
CID 99779945
2-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,2-diamine
CID 3052971
4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(thiophen-2-ylmethyl)butanamide
CID 9116198
2-[[2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]amino]acetamide
CID 115260325
5-tert-butyl-2,3-dihydro-1H-indene
CID 15271758
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(2-thiophen-2-ylethyl)acetamide
CID 27770063

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-thiophen-2-ylpropanoyl chloride?
The IUPAC name of 2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-thiophen-2-ylpropanoyl chloride (CID 117048916) is 2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-thiophen-2-ylpropanoyl chloride.
What is the SMILES notation for 2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-thiophen-2-ylpropanoyl chloride?
The canonical SMILES for 2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-thiophen-2-ylpropanoyl chloride is CC(Cc1cccs1)(C(=O)Cl)c1ccc2c(c1)CCCC2.
What is the InChIKey of 2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-thiophen-2-ylpropanoyl chloride?
The InChIKey is KNBDGFVJIOFUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClOS/c1-18(17(19)20,12-16-7-4-10-21-16)15-9-8-13-5-2-3-6-14(13)11-15/h4,7-11H,2-3,5-6,12H2,1H3.
What are the key properties of 2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-thiophen-2-ylpropanoyl chloride?
2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-thiophen-2-ylpropanoyl chloride has a molecular weight of 318.87 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-thiophen-2-ylpropanoyl chloride is sourced from PubChem (CID 117048916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).