2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoyl chloride

C13H15ClO — CID 117047620

IUPAC2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoyl chloride
SMILESCC(C(=O)Cl)c1ccc2c(c1)CCCC2
InChIInChI=1S/C13H15ClO/c1-9(13(14)15)11-7-6-10-4-2-3-5-12(10)8-11/h6-9H,2-5H2,1H3
InChIKeyIQDFCYYPJKNEPD-UHFFFAOYSA-N
MW222.72 g/mol
LogP3.43
Rot. Bonds2

About 2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoyl chloride

2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoyl chloride (PubChem CID 117047620) has the molecular formula C13H15ClO and a molecular weight of 222.72 g/mol. Its IUPAC name is 2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoyl chloride.

Molecular Properties

Compound Name2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoyl chloride
PubChem CID117047620
Molecular FormulaC13H15ClO
Molecular Weight222.72 g/mol
Exact Mass222.08
IUPAC Name2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoyl chloride
SMILESCC(C(=O)Cl)c1ccc2c(c1)CCCC2
InChIInChI=1S/C13H15ClO/c1-9(13(14)15)11-7-6-10-4-2-3-5-12(10)8-11/h6-9H,2-5H2,1H3
InChIKeyIQDFCYYPJKNEPD-UHFFFAOYSA-N
XLogP3.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoic acid
CID 20556031
ethyl 2-(2,3-dihydro-1H-inden-5-yl)propanoate
CID 164900857
ethane;methane;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 160891896
1-(2,3-dihydro-1H-inden-5-yl)-1-hydroxy-3-methylbutan-2-one
CID 116835964
2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanoic acid
CID 54959578
1-(2,3-dihydro-1H-inden-5-yl)-2-methylpropan-1-ol
CID 61087028
3-chloro-2-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 62727577
cis-(1R,2S)-2-methyl-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]cyclopropane-1-carboxamide
CID 31442780
6-[chloro-(4-propan-2-ylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63431080
[(2R)-1-amino-1-oxopropan-2-yl]-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]azanium
CID 8859258
(2R)-2-amino-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 54995740
3-amino-2,2-dimethyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 116937900

Frequently Asked Questions

What is the IUPAC name of 2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoyl chloride?
The IUPAC name of 2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoyl chloride (CID 117047620) is 2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoyl chloride.
What is the SMILES notation for 2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoyl chloride?
The canonical SMILES for 2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoyl chloride is CC(C(=O)Cl)c1ccc2c(c1)CCCC2.
What is the InChIKey of 2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoyl chloride?
The InChIKey is IQDFCYYPJKNEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO/c1-9(13(14)15)11-7-6-10-4-2-3-5-12(10)8-11/h6-9H,2-5H2,1H3.
What are the key properties of 2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoyl chloride?
2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoyl chloride has a molecular weight of 222.72 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoyl chloride is sourced from PubChem (CID 117047620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).