ethyl 7-bromo-4-methoxynaphthalene-2-carboxylate

C14H13BrO3 — CID 90202516

IUPACethyl 7-bromo-4-methoxynaphthalene-2-carboxylate
SMILESCCOC(=O)c1cc(OC)c2ccc(Br)cc2c1
InChIInChI=1S/C14H13BrO3/c1-3-18-14(16)10-6-9-7-11(15)4-5-12(9)13(8-10)17-2/h4-8H,3H2,1-2H3
InChIKeyMUYGPPHUACYXPX-UHFFFAOYSA-N
MW309.16 g/mol
LogP3.79
Rot. Bonds3

About ethyl 7-bromo-4-methoxynaphthalene-2-carboxylate

ethyl 7-bromo-4-methoxynaphthalene-2-carboxylate (PubChem CID 90202516) has the molecular formula C14H13BrO3 and a molecular weight of 309.16 g/mol. Its IUPAC name is ethyl 7-bromo-4-methoxynaphthalene-2-carboxylate.

Molecular Properties

Compound Nameethyl 7-bromo-4-methoxynaphthalene-2-carboxylate
PubChem CID90202516
Molecular FormulaC14H13BrO3
Molecular Weight309.16 g/mol
Exact Mass308.00
IUPAC Nameethyl 7-bromo-4-methoxynaphthalene-2-carboxylate
SMILESCCOC(=O)c1cc(OC)c2ccc(Br)cc2c1
InChIInChI=1S/C14H13BrO3/c1-3-18-14(16)10-6-9-7-11(15)4-5-12(9)13(8-10)17-2/h4-8H,3H2,1-2H3
InChIKeyMUYGPPHUACYXPX-UHFFFAOYSA-N
XLogP3.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-acetyloxy-7-methoxynaphthalene-2-carboxylate
CID 14971234
(5-bromo-2-methoxyphenyl)methyl 3,4,5-trimethoxybenzoate
CID 9201420
ethyl 3-amino-4-bromo-5-methoxybenzoate
CID 171021080
(4-ethoxycarbonyl-2-methoxyphenyl) 3,4,5-trimethoxybenzoate
CID 7311951
ethyl 4-methoxy-1-benzothiophene-6-carboxylate
CID 11459009
ethyl 3-chlorosulfonyl-4,5-dimethoxybenzoate
CID 43436808
ethyl 3,5-dimethoxy-4-[(5-methylpyrazin-2-yl)methoxy]benzoate
CID 141232269
ethyl 3-(4-bromo-2-methoxyphenyl)-1H-1,2,4-triazole-5-carboxylate
CID 115370123
ethyl 3,4,5-trimethoxybenzoate;1-iodo-2,3,4,5-tetramethylbenzene
CID 123134211
ethyl 4-methoxy-2-methylquinoline-6-carboxylate
CID 23877743
ethyl 3-amino-8-methoxyquinoline-6-carboxylate
CID 156872720
1-O-ethyl 4-O-methyl 2,6-dimethoxybenzene-1,4-dicarboxylate
CID 11402920

Frequently Asked Questions

What is the IUPAC name of ethyl 7-bromo-4-methoxynaphthalene-2-carboxylate?
The IUPAC name of ethyl 7-bromo-4-methoxynaphthalene-2-carboxylate (CID 90202516) is ethyl 7-bromo-4-methoxynaphthalene-2-carboxylate.
What is the SMILES notation for ethyl 7-bromo-4-methoxynaphthalene-2-carboxylate?
The canonical SMILES for ethyl 7-bromo-4-methoxynaphthalene-2-carboxylate is CCOC(=O)c1cc(OC)c2ccc(Br)cc2c1.
What is the InChIKey of ethyl 7-bromo-4-methoxynaphthalene-2-carboxylate?
The InChIKey is MUYGPPHUACYXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrO3/c1-3-18-14(16)10-6-9-7-11(15)4-5-12(9)13(8-10)17-2/h4-8H,3H2,1-2H3.
What are the key properties of ethyl 7-bromo-4-methoxynaphthalene-2-carboxylate?
ethyl 7-bromo-4-methoxynaphthalene-2-carboxylate has a molecular weight of 309.16 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-bromo-4-methoxynaphthalene-2-carboxylate is sourced from PubChem (CID 90202516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).