methyl 2-(1-chloro-6-methylnaphthalen-2-yl)acetate

C14H13ClO2 — CID 54155467

IUPACmethyl 2-(1-chloro-6-methylnaphthalen-2-yl)acetate
SMILESCOC(=O)Cc1ccc2cc(C)ccc2c1Cl
InChIInChI=1S/C14H13ClO2/c1-9-3-6-12-10(7-9)4-5-11(14(12)15)8-13(16)17-2/h3-7H,8H2,1-2H3
InChIKeyOKSZQJLKAIITOP-UHFFFAOYSA-N
MW248.71 g/mol
LogP3.52
Rot. Bonds2

About methyl 2-(1-chloro-6-methylnaphthalen-2-yl)acetate

methyl 2-(1-chloro-6-methylnaphthalen-2-yl)acetate (PubChem CID 54155467) has the molecular formula C14H13ClO2 and a molecular weight of 248.71 g/mol. Its IUPAC name is methyl 2-(1-chloro-6-methylnaphthalen-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(1-chloro-6-methylnaphthalen-2-yl)acetate
PubChem CID54155467
Molecular FormulaC14H13ClO2
Molecular Weight248.71 g/mol
Exact Mass248.06
IUPAC Namemethyl 2-(1-chloro-6-methylnaphthalen-2-yl)acetate
SMILESCOC(=O)Cc1ccc2cc(C)ccc2c1Cl
InChIInChI=1S/C14H13ClO2/c1-9-3-6-12-10(7-9)4-5-11(14(12)15)8-13(16)17-2/h3-7H,8H2,1-2H3
InChIKeyOKSZQJLKAIITOP-UHFFFAOYSA-N
XLogP3.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-chloro-6-methylnaphthalen-2-yl)acetate?
The IUPAC name of methyl 2-(1-chloro-6-methylnaphthalen-2-yl)acetate (CID 54155467) is methyl 2-(1-chloro-6-methylnaphthalen-2-yl)acetate.
What is the SMILES notation for methyl 2-(1-chloro-6-methylnaphthalen-2-yl)acetate?
The canonical SMILES for methyl 2-(1-chloro-6-methylnaphthalen-2-yl)acetate is COC(=O)Cc1ccc2cc(C)ccc2c1Cl.
What is the InChIKey of methyl 2-(1-chloro-6-methylnaphthalen-2-yl)acetate?
The InChIKey is OKSZQJLKAIITOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO2/c1-9-3-6-12-10(7-9)4-5-11(14(12)15)8-13(16)17-2/h3-7H,8H2,1-2H3.
What are the key properties of methyl 2-(1-chloro-6-methylnaphthalen-2-yl)acetate?
methyl 2-(1-chloro-6-methylnaphthalen-2-yl)acetate has a molecular weight of 248.71 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-chloro-6-methylnaphthalen-2-yl)acetate is sourced from PubChem (CID 54155467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).