3-hydroxy-1,6,8-trimethoxynaphthalene-2-carboxylic acid

C14H14O6 — CID 621352

IUPAC3-hydroxy-1,6,8-trimethoxynaphthalene-2-carboxylic acid
SMILESCOc1cc(OC)c2c(OC)c(C(=O)O)c(O)cc2c1
InChIInChI=1S/C14H14O6/c1-18-8-4-7-5-9(15)12(14(16)17)13(20-3)11(7)10(6-8)19-2/h4-6,15H,1-3H3,(H,16,17)
InChIKeyJFGZVHQYVXSZPV-UHFFFAOYSA-N
MW278.26 g/mol
LogP2.27
Rot. Bonds4

About 3-hydroxy-1,6,8-trimethoxynaphthalene-2-carboxylic acid

3-hydroxy-1,6,8-trimethoxynaphthalene-2-carboxylic acid (PubChem CID 621352) has the molecular formula C14H14O6 and a molecular weight of 278.26 g/mol. Its IUPAC name is 3-hydroxy-1,6,8-trimethoxynaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-1,6,8-trimethoxynaphthalene-2-carboxylic acid
PubChem CID621352
Molecular FormulaC14H14O6
Molecular Weight278.26 g/mol
Exact Mass278.08
IUPAC Name3-hydroxy-1,6,8-trimethoxynaphthalene-2-carboxylic acid
SMILESCOc1cc(OC)c2c(OC)c(C(=O)O)c(O)cc2c1
InChIInChI=1S/C14H14O6/c1-18-8-4-7-5-9(15)12(14(16)17)13(20-3)11(7)10(6-8)19-2/h4-6,15H,1-3H3,(H,16,17)
InChIKeyJFGZVHQYVXSZPV-UHFFFAOYSA-N
XLogP2.27
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-5,7-dimethoxynaphthalene-2-carboxylic acid
CID 73013811
ethyl 3-hydroxy-6,8-dimethoxy-1-methylnaphthalene-2-carboxylate
CID 618553
(E)-1-(2,6-dihydroxy-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 5270541
3,6-dihydroxy-2-methoxybenzoic acid
CID 15647609
methyl 1-deuterio-4-hydroxy-5,7-dimethoxynaphthalene-2-carboxylate
CID 10467917
1,3,8-trimethoxy-6-methylanthracen-9-ol
CID 11033842
2,6-dihydroxy-4-[2-(4-methoxyphenoxy)ethoxy]benzoic acid;zinc
CID 67821709
1,6,8-trimethoxy-3-methyl-9,10-dioxoanthracene-2-carboxylic acid
CID 11394165
3-[(2R)-2-hydroxypropyl]-6,8-dimethoxynaphthalen-1-ol
CID 10445415
1-(1,8-dimethoxy-3,6-dimethylnaphthalen-2-yl)ethanone
CID 872909
(E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
CID 70696711
5,7-dimethoxyphenanthrene-1,2,3-triol
CID 71597149

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1,6,8-trimethoxynaphthalene-2-carboxylic acid?
The IUPAC name of 3-hydroxy-1,6,8-trimethoxynaphthalene-2-carboxylic acid (CID 621352) is 3-hydroxy-1,6,8-trimethoxynaphthalene-2-carboxylic acid.
What is the SMILES notation for 3-hydroxy-1,6,8-trimethoxynaphthalene-2-carboxylic acid?
The canonical SMILES for 3-hydroxy-1,6,8-trimethoxynaphthalene-2-carboxylic acid is COc1cc(OC)c2c(OC)c(C(=O)O)c(O)cc2c1.
What is the InChIKey of 3-hydroxy-1,6,8-trimethoxynaphthalene-2-carboxylic acid?
The InChIKey is JFGZVHQYVXSZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O6/c1-18-8-4-7-5-9(15)12(14(16)17)13(20-3)11(7)10(6-8)19-2/h4-6,15H,1-3H3,(H,16,17).
What are the key properties of 3-hydroxy-1,6,8-trimethoxynaphthalene-2-carboxylic acid?
3-hydroxy-1,6,8-trimethoxynaphthalene-2-carboxylic acid has a molecular weight of 278.26 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1,6,8-trimethoxynaphthalene-2-carboxylic acid is sourced from PubChem (CID 621352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).