2-methyl-2-naphthalen-1-ylbutanoyl chloride

C15H15ClO — CID 117047849

IUPAC2-methyl-2-naphthalen-1-ylbutanoyl chloride
SMILESCCC(C)(C(=O)Cl)c1cccc2ccccc12
InChIInChI=1S/C15H15ClO/c1-3-15(2,14(16)17)13-10-6-8-11-7-4-5-9-12(11)13/h4-10H,3H2,1-2H3
InChIKeyLWDDMIABEJRPHF-UHFFFAOYSA-N
MW246.74 g/mol
LogP4.27
Rot. Bonds3

About 2-methyl-2-naphthalen-1-ylbutanoyl chloride

2-methyl-2-naphthalen-1-ylbutanoyl chloride (PubChem CID 117047849) has the molecular formula C15H15ClO and a molecular weight of 246.74 g/mol. Its IUPAC name is 2-methyl-2-naphthalen-1-ylbutanoyl chloride.

Molecular Properties

Compound Name2-methyl-2-naphthalen-1-ylbutanoyl chloride
PubChem CID117047849
Molecular FormulaC15H15ClO
Molecular Weight246.74 g/mol
Exact Mass246.08
IUPAC Name2-methyl-2-naphthalen-1-ylbutanoyl chloride
SMILESCCC(C)(C(=O)Cl)c1cccc2ccccc12
InChIInChI=1S/C15H15ClO/c1-3-15(2,14(16)17)13-10-6-8-11-7-4-5-9-12(11)13/h4-10H,3H2,1-2H3
InChIKeyLWDDMIABEJRPHF-UHFFFAOYSA-N
XLogP4.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 54.27
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-3-naphthalen-1-ylbutanoic acid
CID 79020311
ethyl 4-amino-2-methyl-2-naphthalen-1-ylbutanoate
CID 117049874
1-(1,1-dinaphthalen-1-ylethyl)naphthalene
CID 91541516
3-hydroxy-3-naphthalen-1-ylbutanoic acid
CID 598604
ethyl 2-amino-2-naphthalen-1-ylpropanoate
CID 60796061
2,3-dimethyl-3-naphthalen-1-ylbutan-2-ol
CID 140553457
2-naphthalen-1-ylpropane-2-sulfonic acid
CID 88732761
1-(1,1,1-trifluoro-2-methylbutan-2-yl)naphthalene
CID 118544454
(2S)-2-(methylamino)-2-naphthalen-1-ylpropanoic acid
CID 66760761
(2R)-2-(methylamino)-2-naphthalen-1-ylpropanoic acid
CID 67197757
(1-naphthalen-1-yl-1-phenylethyl) 2,2-dimethylbutanoate
CID 20813193
ethyl 3-amino-3-naphthalen-1-ylbutanoate
CID 79849159

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-naphthalen-1-ylbutanoyl chloride?
The IUPAC name of 2-methyl-2-naphthalen-1-ylbutanoyl chloride (CID 117047849) is 2-methyl-2-naphthalen-1-ylbutanoyl chloride.
What is the SMILES notation for 2-methyl-2-naphthalen-1-ylbutanoyl chloride?
The canonical SMILES for 2-methyl-2-naphthalen-1-ylbutanoyl chloride is CCC(C)(C(=O)Cl)c1cccc2ccccc12.
What is the InChIKey of 2-methyl-2-naphthalen-1-ylbutanoyl chloride?
The InChIKey is LWDDMIABEJRPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO/c1-3-15(2,14(16)17)13-10-6-8-11-7-4-5-9-12(11)13/h4-10H,3H2,1-2H3.
What are the key properties of 2-methyl-2-naphthalen-1-ylbutanoyl chloride?
2-methyl-2-naphthalen-1-ylbutanoyl chloride has a molecular weight of 246.74 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-naphthalen-1-ylbutanoyl chloride is sourced from PubChem (CID 117047849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).