8-ethyl-4-hydroxy-6,7-dimethoxynaphthalene-2-carboxylic acid

C15H16O5 — CID 51031692

IUPAC8-ethyl-4-hydroxy-6,7-dimethoxynaphthalene-2-carboxylic acid
SMILESCCc1c(OC)c(OC)cc2c(O)cc(C(=O)O)cc12
InChIInChI=1S/C15H16O5/c1-4-9-10-5-8(15(17)18)6-12(16)11(10)7-13(19-2)14(9)20-3/h5-7,16H,4H2,1-3H3,(H,17,18)
InChIKeyYNBUTMJFWBVIMZ-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.82
Rot. Bonds4

About 8-ethyl-4-hydroxy-6,7-dimethoxynaphthalene-2-carboxylic acid

8-ethyl-4-hydroxy-6,7-dimethoxynaphthalene-2-carboxylic acid (PubChem CID 51031692) has the molecular formula C15H16O5 and a molecular weight of 276.29 g/mol. Its IUPAC name is 8-ethyl-4-hydroxy-6,7-dimethoxynaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name8-ethyl-4-hydroxy-6,7-dimethoxynaphthalene-2-carboxylic acid
PubChem CID51031692
Molecular FormulaC15H16O5
Molecular Weight276.29 g/mol
Exact Mass276.10
IUPAC Name8-ethyl-4-hydroxy-6,7-dimethoxynaphthalene-2-carboxylic acid
SMILESCCc1c(OC)c(OC)cc2c(O)cc(C(=O)O)cc12
InChIInChI=1S/C15H16O5/c1-4-9-10-5-8(15(17)18)6-12(16)11(10)7-13(19-2)14(9)20-3/h5-7,16H,4H2,1-3H3,(H,17,18)
InChIKeyYNBUTMJFWBVIMZ-UHFFFAOYSA-N
XLogP2.82
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-hydroxy-6,7,8-trimethoxynaphthalene-2-carboxylate
CID 18981335
4-hydroxy-8-methoxynaphthalene-2-carboxylic acid
CID 58932978
8-bromo-4-hydroxy-5,6-dimethoxynaphthalene-2-carboxylic acid
CID 73013869
4-ethoxy-3,5-dihydroxybenzoic acid
CID 55283148
3-amino-2-ethyl-4,5-dimethoxybenzoic acid
CID 84689670
3-hydroxy-4-methoxy-5-sulfooxybenzoic acid
CID 10825483
3-cyano-4-ethyl-5-methoxybenzoic acid
CID 131530271
4,6,7-trimethoxy-8-propan-2-ylnaphthalene-2-carboxylic acid
CID 11088021
3-hydroxy-4-methoxybenzoic acid
CID 12575
3,5-dimethoxy-4-octadecoxybenzoic acid
CID 70585475
methyl 4-hydroxy-5,6,8-trimethoxynaphthalene-2-carboxylate
CID 11358292
4-hexoxy-3,5-dimethoxybenzoic acid
CID 10265785

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-4-hydroxy-6,7-dimethoxynaphthalene-2-carboxylic acid?
The IUPAC name of 8-ethyl-4-hydroxy-6,7-dimethoxynaphthalene-2-carboxylic acid (CID 51031692) is 8-ethyl-4-hydroxy-6,7-dimethoxynaphthalene-2-carboxylic acid.
What is the SMILES notation for 8-ethyl-4-hydroxy-6,7-dimethoxynaphthalene-2-carboxylic acid?
The canonical SMILES for 8-ethyl-4-hydroxy-6,7-dimethoxynaphthalene-2-carboxylic acid is CCc1c(OC)c(OC)cc2c(O)cc(C(=O)O)cc12.
What is the InChIKey of 8-ethyl-4-hydroxy-6,7-dimethoxynaphthalene-2-carboxylic acid?
The InChIKey is YNBUTMJFWBVIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O5/c1-4-9-10-5-8(15(17)18)6-12(16)11(10)7-13(19-2)14(9)20-3/h5-7,16H,4H2,1-3H3,(H,17,18).
What are the key properties of 8-ethyl-4-hydroxy-6,7-dimethoxynaphthalene-2-carboxylic acid?
8-ethyl-4-hydroxy-6,7-dimethoxynaphthalene-2-carboxylic acid has a molecular weight of 276.29 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-4-hydroxy-6,7-dimethoxynaphthalene-2-carboxylic acid is sourced from PubChem (CID 51031692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).