ethyl 2-chloro-2-(6-methylnaphthalen-2-yl)acetate

C15H15ClO2 — CID 116863158

IUPACethyl 2-chloro-2-(6-methylnaphthalen-2-yl)acetate
SMILESCCOC(=O)C(Cl)c1ccc2cc(C)ccc2c1
InChIInChI=1S/C15H15ClO2/c1-3-18-15(17)14(16)13-7-6-11-8-10(2)4-5-12(11)9-13/h4-9,14H,3H2,1-2H3
InChIKeyZJWDHNFMUXFHQN-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.99
Rot. Bonds3

About ethyl 2-chloro-2-(6-methylnaphthalen-2-yl)acetate

ethyl 2-chloro-2-(6-methylnaphthalen-2-yl)acetate (PubChem CID 116863158) has the molecular formula C15H15ClO2 and a molecular weight of 262.74 g/mol. Its IUPAC name is ethyl 2-chloro-2-(6-methylnaphthalen-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-chloro-2-(6-methylnaphthalen-2-yl)acetate
PubChem CID116863158
Molecular FormulaC15H15ClO2
Molecular Weight262.74 g/mol
Exact Mass262.08
IUPAC Nameethyl 2-chloro-2-(6-methylnaphthalen-2-yl)acetate
SMILESCCOC(=O)C(Cl)c1ccc2cc(C)ccc2c1
InChIInChI=1S/C15H15ClO2/c1-3-18-15(17)14(16)13-7-6-11-8-10(2)4-5-12(11)9-13/h4-9,14H,3H2,1-2H3
InChIKeyZJWDHNFMUXFHQN-UHFFFAOYSA-N
XLogP3.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-chloro-2-(3-methylphenyl)acetate
CID 22600133
butyl 2-(6-methylnaphthalen-2-yl)propanoate
CID 21412548
heptyl 2-(6-methylnaphthalen-2-yl)propanoate
CID 59089567
diethyl 2,3-dinaphthalen-2-ylbutanedioate
CID 611707
ethyl 2-chloro-2-(4-ethoxy-3-fluorophenyl)acetate
CID 116863125
methyl 2-hydroxy-2-(6-methylnaphthalen-2-yl)acetate
CID 70589990
butyl (2R,5S)-2-methyl-5-(6-methylnaphthalen-2-yl)-4-oxohexanoate
CID 146714639
ethyl 2-chloro-2-(3,5-difluorophenyl)acetate
CID 106531981
ethyl 2-chloro-2-(2-oxo-1,3-dihydroindol-5-yl)acetate
CID 116863121
carbon monoxide;ethanol;2-ethyl-6-methylnaphthalene;ethyl 2-(6-methylnaphthalen-2-yl)propanoate;2-(6-methylnaphthalen-2-yl)propanoic acid
CID 159779933
ethyl 3-methyl-2-(5-methyl-1-benzofuran-2-yl)butanoate
CID 114732654
2-chloro-2-(6-methoxynaphthalen-2-yl)-N-propylacetamide
CID 62226439

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-2-(6-methylnaphthalen-2-yl)acetate?
The IUPAC name of ethyl 2-chloro-2-(6-methylnaphthalen-2-yl)acetate (CID 116863158) is ethyl 2-chloro-2-(6-methylnaphthalen-2-yl)acetate.
What is the SMILES notation for ethyl 2-chloro-2-(6-methylnaphthalen-2-yl)acetate?
The canonical SMILES for ethyl 2-chloro-2-(6-methylnaphthalen-2-yl)acetate is CCOC(=O)C(Cl)c1ccc2cc(C)ccc2c1.
What is the InChIKey of ethyl 2-chloro-2-(6-methylnaphthalen-2-yl)acetate?
The InChIKey is ZJWDHNFMUXFHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO2/c1-3-18-15(17)14(16)13-7-6-11-8-10(2)4-5-12(11)9-13/h4-9,14H,3H2,1-2H3.
What are the key properties of ethyl 2-chloro-2-(6-methylnaphthalen-2-yl)acetate?
ethyl 2-chloro-2-(6-methylnaphthalen-2-yl)acetate has a molecular weight of 262.74 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-2-(6-methylnaphthalen-2-yl)acetate is sourced from PubChem (CID 116863158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).