methyl 5-chloro-6-methoxynaphthalene-2-carboxylate

C13H11ClO3 — CID 154003587

IUPACmethyl 5-chloro-6-methoxynaphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2c(Cl)c(OC)ccc2c1
InChIInChI=1S/C13H11ClO3/c1-16-11-6-4-8-7-9(13(15)17-2)3-5-10(8)12(11)14/h3-7H,1-2H3
InChIKeyGMFMMWDHBGEBAQ-UHFFFAOYSA-N
MW250.68 g/mol
LogP3.29
Rot. Bonds2

About methyl 5-chloro-6-methoxynaphthalene-2-carboxylate

methyl 5-chloro-6-methoxynaphthalene-2-carboxylate (PubChem CID 154003587) has the molecular formula C13H11ClO3 and a molecular weight of 250.68 g/mol. Its IUPAC name is methyl 5-chloro-6-methoxynaphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-chloro-6-methoxynaphthalene-2-carboxylate
PubChem CID154003587
Molecular FormulaC13H11ClO3
Molecular Weight250.68 g/mol
Exact Mass250.04
IUPAC Namemethyl 5-chloro-6-methoxynaphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2c(Cl)c(OC)ccc2c1
InChIInChI=1S/C13H11ClO3/c1-16-11-6-4-8-7-9(13(15)17-2)3-5-10(8)12(11)14/h3-7H,1-2H3
InChIKeyGMFMMWDHBGEBAQ-UHFFFAOYSA-N
XLogP3.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.68
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 6-chloronaphthalene-2-carboxylate
CID 13384252
(2S)-2-(5-chloro-6-methoxynaphthalen-2-yl)propanoic acid
CID 13075209
methyl 3-methoxy-4-(2,4,6-trichlorophenoxy)benzoate
CID 131879057
methyl 4-amino-3-methoxybenzoate
CID 602411
dimethyl naphthalene-1,6-dicarboxylate
CID 11459190
methyl 3-acetyl-4-methoxybenzoate
CID 10798398
methyl 8-chloronaphthalene-2-carboxylate
CID 90487849
1-(6-methoxy-5-methylnaphthalen-2-yl)ethanone
CID 20641233
methyl 8-chloro-4-methoxy-7-methylquinoline-2-carboxylate
CID 114250699
methyl 4-chloro-5-methoxy-1-benzofuran-2-carboxylate
CID 14916652
dimethyl dibenzotellurophene-3,7-dicarboxylate
CID 162715291
6-methoxycarbonylnaphthalene-2-carboxylate
CID 3934911

Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-6-methoxynaphthalene-2-carboxylate?
The IUPAC name of methyl 5-chloro-6-methoxynaphthalene-2-carboxylate (CID 154003587) is methyl 5-chloro-6-methoxynaphthalene-2-carboxylate.
What is the SMILES notation for methyl 5-chloro-6-methoxynaphthalene-2-carboxylate?
The canonical SMILES for methyl 5-chloro-6-methoxynaphthalene-2-carboxylate is COC(=O)c1ccc2c(Cl)c(OC)ccc2c1.
What is the InChIKey of methyl 5-chloro-6-methoxynaphthalene-2-carboxylate?
The InChIKey is GMFMMWDHBGEBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClO3/c1-16-11-6-4-8-7-9(13(15)17-2)3-5-10(8)12(11)14/h3-7H,1-2H3.
What are the key properties of methyl 5-chloro-6-methoxynaphthalene-2-carboxylate?
methyl 5-chloro-6-methoxynaphthalene-2-carboxylate has a molecular weight of 250.68 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-6-methoxynaphthalene-2-carboxylate is sourced from PubChem (CID 154003587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).