2-methyl-2-naphthalen-2-yl-3-phenylpropanoyl chloride

C20H17ClO — CID 117048269

IUPAC2-methyl-2-naphthalen-2-yl-3-phenylpropanoyl chloride
SMILESCC(Cc1ccccc1)(C(=O)Cl)c1ccc2ccccc2c1
InChIInChI=1S/C20H17ClO/c1-20(19(21)22,14-15-7-3-2-4-8-15)18-12-11-16-9-5-6-10-17(16)13-18/h2-13H,14H2,1H3
InChIKeyBZKJQDTWJGLWSN-UHFFFAOYSA-N
MW308.81 g/mol
LogP5.11
Rot. Bonds4

About 2-methyl-2-naphthalen-2-yl-3-phenylpropanoyl chloride

2-methyl-2-naphthalen-2-yl-3-phenylpropanoyl chloride (PubChem CID 117048269) has the molecular formula C20H17ClO and a molecular weight of 308.81 g/mol. Its IUPAC name is 2-methyl-2-naphthalen-2-yl-3-phenylpropanoyl chloride.

Molecular Properties

Compound Name2-methyl-2-naphthalen-2-yl-3-phenylpropanoyl chloride
PubChem CID117048269
Molecular FormulaC20H17ClO
Molecular Weight308.81 g/mol
Exact Mass308.10
IUPAC Name2-methyl-2-naphthalen-2-yl-3-phenylpropanoyl chloride
SMILESCC(Cc1ccccc1)(C(=O)Cl)c1ccc2ccccc2c1
InChIInChI=1S/C20H17ClO/c1-20(19(21)22,14-15-7-3-2-4-8-15)18-12-11-16-9-5-6-10-17(16)13-18/h2-13H,14H2,1H3
InChIKeyBZKJQDTWJGLWSN-UHFFFAOYSA-N
XLogP5.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.81
LogP ≤ 55.11
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

2-methyl-2-naphthalen-2-yl-3-pyridin-4-ylpropanoyl chloride
CID 117049133
2-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine
CID 117048230
ethyl (2R)-3-fluoro-2-methyl-2-naphthalen-2-ylpropanoate
CID 155818749
2-(2,6-difluorophenyl)-2-methyl-3-phenylpropanoyl chloride
CID 117048265
2-(2,4-dichlorophenyl)-2-methyl-3-phenylpropanoyl chloride
CID 117048262
4-hydroxy-2-methyl-1,2-diphenylpentan-3-one
CID 174770449
ethyl 5-amino-2-methyl-2-naphthalen-2-ylpentanoate
CID 117049792
(2R)-2-amino-N-benzyl-N-methyl-2-naphthalen-2-ylpropanamide
CID 22880268
2-(dimethylamino)-2-naphthalen-2-ylpropanoic acid
CID 43803122
3-(methylamino)-3-naphthalen-2-ylbutanoic acid
CID 65236663
2-benzamido-2-naphthalen-2-ylpropanoic acid
CID 156695246
ethyl 2-methyl-2-naphthalen-2-yl-3-thiophen-2-ylpropanoate
CID 117048785

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-naphthalen-2-yl-3-phenylpropanoyl chloride?
The IUPAC name of 2-methyl-2-naphthalen-2-yl-3-phenylpropanoyl chloride (CID 117048269) is 2-methyl-2-naphthalen-2-yl-3-phenylpropanoyl chloride.
What is the SMILES notation for 2-methyl-2-naphthalen-2-yl-3-phenylpropanoyl chloride?
The canonical SMILES for 2-methyl-2-naphthalen-2-yl-3-phenylpropanoyl chloride is CC(Cc1ccccc1)(C(=O)Cl)c1ccc2ccccc2c1.
What is the InChIKey of 2-methyl-2-naphthalen-2-yl-3-phenylpropanoyl chloride?
The InChIKey is BZKJQDTWJGLWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClO/c1-20(19(21)22,14-15-7-3-2-4-8-15)18-12-11-16-9-5-6-10-17(16)13-18/h2-13H,14H2,1H3.
What are the key properties of 2-methyl-2-naphthalen-2-yl-3-phenylpropanoyl chloride?
2-methyl-2-naphthalen-2-yl-3-phenylpropanoyl chloride has a molecular weight of 308.81 g/mol, XLogP of 5.11, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-naphthalen-2-yl-3-phenylpropanoyl chloride is sourced from PubChem (CID 117048269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).