methyl 7-bromo-5-hydroxy-4,8-dimethoxy-6-methylnaphthalene-2-carboxylate

C15H15BrO5 — CID 13158265

IUPACmethyl 7-bromo-5-hydroxy-4,8-dimethoxy-6-methylnaphthalene-2-carboxylate
SMILESCOC(=O)c1cc(OC)c2c(O)c(C)c(Br)c(OC)c2c1
InChIInChI=1S/C15H15BrO5/c1-7-12(16)14(20-3)9-5-8(15(18)21-4)6-10(19-2)11(9)13(7)17/h5-6,17H,1-4H3
InChIKeyITEANEQRTYTSMC-UHFFFAOYSA-N
MW355.18 g/mol
LogP3.42
Rot. Bonds3

About methyl 7-bromo-5-hydroxy-4,8-dimethoxy-6-methylnaphthalene-2-carboxylate

methyl 7-bromo-5-hydroxy-4,8-dimethoxy-6-methylnaphthalene-2-carboxylate (PubChem CID 13158265) has the molecular formula C15H15BrO5 and a molecular weight of 355.18 g/mol. Its IUPAC name is methyl 7-bromo-5-hydroxy-4,8-dimethoxy-6-methylnaphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 7-bromo-5-hydroxy-4,8-dimethoxy-6-methylnaphthalene-2-carboxylate
PubChem CID13158265
Molecular FormulaC15H15BrO5
Molecular Weight355.18 g/mol
Exact Mass354.01
IUPAC Namemethyl 7-bromo-5-hydroxy-4,8-dimethoxy-6-methylnaphthalene-2-carboxylate
SMILESCOC(=O)c1cc(OC)c2c(O)c(C)c(Br)c(OC)c2c1
InChIInChI=1S/C15H15BrO5/c1-7-12(16)14(20-3)9-5-8(15(18)21-4)6-10(19-2)11(9)13(7)17/h5-6,17H,1-4H3
InChIKeyITEANEQRTYTSMC-UHFFFAOYSA-N
XLogP3.42
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.18
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-hydroxy-5,6,8-trimethoxynaphthalene-2-carboxylate
CID 11358292
methyl 4-hydroxy-6,7,8-trimethoxynaphthalene-2-carboxylate
CID 18981335
methyl 3-amino-5-methoxy-4-methylbenzoate
CID 14760985
methyl 4-hydroxy-3-iodo-5-methoxybenzoate
CID 53426739
methyl 4-bromo-3-(hydroxymethyl)-5-methoxybenzoate
CID 67562567
methyl 4-hydroxy-3-(1-hydroxyethyl)-5-methoxybenzoate
CID 117325019
methyl 3-bromo-2,6-dimethoxy-4-methylbenzoate
CID 121224482
methyl 3,5-diacetyloxy-4-methoxybenzoate
CID 139070883
methyl 3-ethoxy-5-hydroxy-4-methoxybenzoate
CID 177233535
methyl 5-acetyloxy-4,6,7-trimethoxynaphthalene-2-carboxylate
CID 73013836
methyl 4-[2-oxo-2-(3,4,5-trimethoxyphenyl)acetyl]benzoate
CID 170457460
methyl 2,4-dibromo-3,5-dimethoxybenzoate
CID 165356918

Frequently Asked Questions

What is the IUPAC name of methyl 7-bromo-5-hydroxy-4,8-dimethoxy-6-methylnaphthalene-2-carboxylate?
The IUPAC name of methyl 7-bromo-5-hydroxy-4,8-dimethoxy-6-methylnaphthalene-2-carboxylate (CID 13158265) is methyl 7-bromo-5-hydroxy-4,8-dimethoxy-6-methylnaphthalene-2-carboxylate.
What is the SMILES notation for methyl 7-bromo-5-hydroxy-4,8-dimethoxy-6-methylnaphthalene-2-carboxylate?
The canonical SMILES for methyl 7-bromo-5-hydroxy-4,8-dimethoxy-6-methylnaphthalene-2-carboxylate is COC(=O)c1cc(OC)c2c(O)c(C)c(Br)c(OC)c2c1.
What is the InChIKey of methyl 7-bromo-5-hydroxy-4,8-dimethoxy-6-methylnaphthalene-2-carboxylate?
The InChIKey is ITEANEQRTYTSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO5/c1-7-12(16)14(20-3)9-5-8(15(18)21-4)6-10(19-2)11(9)13(7)17/h5-6,17H,1-4H3.
What are the key properties of methyl 7-bromo-5-hydroxy-4,8-dimethoxy-6-methylnaphthalene-2-carboxylate?
methyl 7-bromo-5-hydroxy-4,8-dimethoxy-6-methylnaphthalene-2-carboxylate has a molecular weight of 355.18 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-bromo-5-hydroxy-4,8-dimethoxy-6-methylnaphthalene-2-carboxylate is sourced from PubChem (CID 13158265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).