4-[(2-hydroxy-3-methoxycarbonylnaphthalen-1-yl)diazenyl]phthalic acid

C20H14N2O7 — CID 135783962

IUPAC4-[(2-hydroxy-3-methoxycarbonylnaphthalen-1-yl)diazenyl]phthalic acid
SMILESCOC(=O)c1cc2ccccc2c(/N=N/c2ccc(C(=O)O)c(C(=O)O)c2)c1O
InChIInChI=1S/C20H14N2O7/c1-29-20(28)15-8-10-4-2-3-5-12(10)16(17(15)23)22-21-11-6-7-13(18(24)25)14(9-11)19(26)27/h2-9,23H,1H3,(H,24,25)(H,26,27)/b22-21+
InChIKeyPBPJYYQYSPYAGK-QURGRASLSA-N
MW394.34 g/mol
LogP4.14
Rot. Bonds5

About 4-[(2-hydroxy-3-methoxycarbonylnaphthalen-1-yl)diazenyl]phthalic acid

4-[(2-hydroxy-3-methoxycarbonylnaphthalen-1-yl)diazenyl]phthalic acid (PubChem CID 135783962) has the molecular formula C20H14N2O7 and a molecular weight of 394.34 g/mol. Its IUPAC name is 4-[(2-hydroxy-3-methoxycarbonylnaphthalen-1-yl)diazenyl]phthalic acid.

Molecular Properties

Compound Name4-[(2-hydroxy-3-methoxycarbonylnaphthalen-1-yl)diazenyl]phthalic acid
PubChem CID135783962
Molecular FormulaC20H14N2O7
Molecular Weight394.34 g/mol
Exact Mass394.08
IUPAC Name4-[(2-hydroxy-3-methoxycarbonylnaphthalen-1-yl)diazenyl]phthalic acid
SMILESCOC(=O)c1cc2ccccc2c(/N=N/c2ccc(C(=O)O)c(C(=O)O)c2)c1O
InChIInChI=1S/C20H14N2O7/c1-29-20(28)15-8-10-4-2-3-5-12(10)16(17(15)23)22-21-11-6-7-13(18(24)25)14(9-11)19(26)27/h2-9,23H,1H3,(H,24,25)(H,26,27)/b22-21+
InChIKeyPBPJYYQYSPYAGK-QURGRASLSA-N
XLogP4.14
TPSA145.85 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.34
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

methyl 3-hydroxy-4-(2-hydroxy-3-methoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate
CID 10905491
4-[(6,8-disulfonaphthalen-2-yl)diazenyl]-3-hydroxynaphthalene-2-carboxylic acid
CID 136855518
methyl 3-hydroxy-4-iodonaphthalene-2-carboxylate
CID 139922575
methyl 3-[[2-hydroxy-3-[[4-[[3-hydroxy-4-[(3-methoxycarbonylphenyl)diazenyl]naphthalene-2-carbonyl]amino]-3,5-dimethylphenyl]carbamoyl]naphthalen-1-yl]diazenyl]benzoate
CID 136854836
methyl 3-[[3-[[2,3-diethyl-4-[[3-hydroxy-4-[(3-methoxycarbonylphenyl)diazenyl]naphthalene-2-carbonyl]amino]phenyl]carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]benzoate
CID 136854839
4-[(2-chloro-6-methylphenyl)diazenyl]-3-hydroxynaphthalene-2-carboxylic acid
CID 3018314
dimethyl 1-hydroxynaphthalene-2,3-dicarboxylate
CID 2752722
4-[(5-carbamoyl-2-methoxyphenyl)diazenyl]-3-hydroxynaphthalene-2-carboxylic acid
CID 136706044
4-[(4-benzamido-3,5-dimethoxyphenyl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide
CID 177440661
3-hydroxy-4-[(1,3,5-trimethylpyrazol-4-yl)diazenyl]naphthalene-2-carboxylic acid
CID 3108214
dimethyl naphthalene-1,4-dicarboxylate;naphthalene-1,4-dicarboxylic acid
CID 162019069
copper bis(3-carboxy-1-phenyldiazenylnaphthalen-2-olate)
CID 175731451

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxy-3-methoxycarbonylnaphthalen-1-yl)diazenyl]phthalic acid?
The IUPAC name of 4-[(2-hydroxy-3-methoxycarbonylnaphthalen-1-yl)diazenyl]phthalic acid (CID 135783962) is 4-[(2-hydroxy-3-methoxycarbonylnaphthalen-1-yl)diazenyl]phthalic acid.
What is the SMILES notation for 4-[(2-hydroxy-3-methoxycarbonylnaphthalen-1-yl)diazenyl]phthalic acid?
The canonical SMILES for 4-[(2-hydroxy-3-methoxycarbonylnaphthalen-1-yl)diazenyl]phthalic acid is COC(=O)c1cc2ccccc2c(/N=N/c2ccc(C(=O)O)c(C(=O)O)c2)c1O.
What is the InChIKey of 4-[(2-hydroxy-3-methoxycarbonylnaphthalen-1-yl)diazenyl]phthalic acid?
The InChIKey is PBPJYYQYSPYAGK-QURGRASLSA-N. The full InChI is InChI=1S/C20H14N2O7/c1-29-20(28)15-8-10-4-2-3-5-12(10)16(17(15)23)22-21-11-6-7-13(18(24)25)14(9-11)19(26)27/h2-9,23H,1H3,(H,24,25)(H,26,27)/b22-21+.
What are the key properties of 4-[(2-hydroxy-3-methoxycarbonylnaphthalen-1-yl)diazenyl]phthalic acid?
4-[(2-hydroxy-3-methoxycarbonylnaphthalen-1-yl)diazenyl]phthalic acid has a molecular weight of 394.34 g/mol, XLogP of 4.14, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxy-3-methoxycarbonylnaphthalen-1-yl)diazenyl]phthalic acid is sourced from PubChem (CID 135783962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).