3-carboxy-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-olate

C21H13O4- — CID 54721974

IUPAC3-carboxy-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-olate
SMILESO=C(O)c1cc2ccccc2c(-c2c(O)ccc3ccccc23)c1[O-]
InChIInChI=1S/C21H14O4/c22-17-10-9-12-5-1-3-7-14(12)18(17)19-15-8-4-2-6-13(15)11-16(20(19)23)21(24)25/h1-11,22-23H,(H,24,25)/p-1
InChIKeyVMUYFZVUURXESF-UHFFFAOYSA-M
MW329.33 g/mol
LogP4.14
Rot. Bonds2

About 3-carboxy-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-olate

3-carboxy-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-olate (PubChem CID 54721974) has the molecular formula C21H13O4- and a molecular weight of 329.33 g/mol. Its IUPAC name is 3-carboxy-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-olate.

Molecular Properties

Compound Name3-carboxy-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-olate
PubChem CID54721974
Molecular FormulaC21H13O4-
Molecular Weight329.33 g/mol
Exact Mass329.08
IUPAC Name3-carboxy-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-olate
SMILESO=C(O)c1cc2ccccc2c(-c2c(O)ccc3ccccc23)c1[O-]
InChIInChI=1S/C21H14O4/c22-17-10-9-12-5-1-3-7-14(12)18(17)19-15-8-4-2-6-13(15)11-16(20(19)23)21(24)25/h1-11,22-23H,(H,24,25)/p-1
InChIKeyVMUYFZVUURXESF-UHFFFAOYSA-M
XLogP4.14
TPSA80.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalene-2-carboxylic acid
CID 160574931
aluminum 4-(3-carboxy-2-oxidonaphthalen-1-yl)-3-oxidonaphthalene-2-carboxylate
CID 54682510
dicesium;3-carboxy-1-[(3-carboxy-2-oxidonaphthalen-1-yl)methyl]naphthalen-2-olate
CID 54702486
dizinc;4-(3-carboxy-2-hydroxynaphthalen-1-yl)-3-hydroxynaphthalene-2-carboxylic acid
CID 161380259
3-hydroxy-4-(2-hydroxynaphthalen-1-yl)-N-methylnaphthalene-2-carboxamide
CID 101061990
[3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]-(4-methylphenyl)methanone
CID 18720381
1-(2-hydroxynaphthalen-1-yl)naphthalene-2-carboxamide
CID 101266046
3-hydroxy-4-naphthalen-1-ylnaphthalene-2-carboxylic acid
CID 178068775
tris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);phosphorous acid
CID 173338729
benzo[a]anthracene-9,10-dicarboxylic acid
CID 175115452
zinc;bis(2-carboxynaphthalen-1-olate);tetrahydrate
CID 54706141
dipotassium bis(2-carboxy-4-hydroxynaphthalen-1-olate)
CID 178181364

Frequently Asked Questions

What is the IUPAC name of 3-carboxy-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-olate?
The IUPAC name of 3-carboxy-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-olate (CID 54721974) is 3-carboxy-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-olate.
What is the SMILES notation for 3-carboxy-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-olate?
The canonical SMILES for 3-carboxy-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-olate is O=C(O)c1cc2ccccc2c(-c2c(O)ccc3ccccc23)c1[O-].
What is the InChIKey of 3-carboxy-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-olate?
The InChIKey is VMUYFZVUURXESF-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H14O4/c22-17-10-9-12-5-1-3-7-14(12)18(17)19-15-8-4-2-6-13(15)11-16(20(19)23)21(24)25/h1-11,22-23H,(H,24,25)/p-1.
What are the key properties of 3-carboxy-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-olate?
3-carboxy-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-olate has a molecular weight of 329.33 g/mol, XLogP of 4.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carboxy-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-olate is sourced from PubChem (CID 54721974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).