3-hydroxy-4-[(7-hydroxy-2-methylnaphthalen-1-yl)diazenyl]benzoic acid

C18H14N2O4 — CID 152793976

IUPAC3-hydroxy-4-[(7-hydroxy-2-methylnaphthalen-1-yl)diazenyl]benzoic acid
SMILESCc1ccc2ccc(O)cc2c1/N=N/c1ccc(C(=O)O)cc1O
InChIInChI=1S/C18H14N2O4/c1-10-2-3-11-4-6-13(21)9-14(11)17(10)20-19-15-7-5-12(18(23)24)8-16(15)22/h2-9,21-22H,1H3,(H,23,24)/b20-19+
InChIKeySKLYIYAVEGCPPQ-FMQUCBEESA-N
MW322.32 g/mol
LogP4.67
Rot. Bonds3

About 3-hydroxy-4-[(7-hydroxy-2-methylnaphthalen-1-yl)diazenyl]benzoic acid

3-hydroxy-4-[(7-hydroxy-2-methylnaphthalen-1-yl)diazenyl]benzoic acid (PubChem CID 152793976) has the molecular formula C18H14N2O4 and a molecular weight of 322.32 g/mol. Its IUPAC name is 3-hydroxy-4-[(7-hydroxy-2-methylnaphthalen-1-yl)diazenyl]benzoic acid.

Molecular Properties

Compound Name3-hydroxy-4-[(7-hydroxy-2-methylnaphthalen-1-yl)diazenyl]benzoic acid
PubChem CID152793976
Molecular FormulaC18H14N2O4
Molecular Weight322.32 g/mol
Exact Mass322.10
IUPAC Name3-hydroxy-4-[(7-hydroxy-2-methylnaphthalen-1-yl)diazenyl]benzoic acid
SMILESCc1ccc2ccc(O)cc2c1/N=N/c1ccc(C(=O)O)cc1O
InChIInChI=1S/C18H14N2O4/c1-10-2-3-11-4-6-13(21)9-14(11)17(10)20-19-15-7-5-12(18(23)24)8-16(15)22/h2-9,21-22H,1H3,(H,23,24)/b20-19+
InChIKeySKLYIYAVEGCPPQ-FMQUCBEESA-N
XLogP4.67
TPSA102.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 54.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

3-hydroxy-4-[(E)-2-(7-hydroxy-2-methylnaphthalen-1-yl)ethenyl]benzoic acid
CID 147667852
3-hydroxy-4-[[(E)-2-hydroxy-4-oxopent-2-en-3-yl]diazenyl]benzoic acid
CID 177428286
actinium;6-hydroxynaphthalene-2-carboxylic acid
CID 59891781
3-hydroxy-4-methylbenzoic acid;4-hydroxy-3-methylbenzoic acid
CID 160831829
3-[(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)diazenyl]-4-methylbenzoic acid
CID 4764247
3-hydroxy-4-(2,4,5-trimethylphenyl)benzoic acid
CID 114103412
4-[[4-[(4-carboxyphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]benzoic acid
CID 177296906
3-(tert-butylsulfanyldiazenyl)-4-methylbenzoic acid
CID 22591301
naphthalene-2-carboxylic acid;naphthalen-2-ol
CID 161405760
2-[(2,4-dihydroxyphenyl)diazenyl]-1,3-thiazole-4-carboxylic acid
CID 137208528
3-(carboxymethylsulfonyl)-4-methylbenzoic acid
CID 82365764
4-[[2-(2,3-dimethylbutyl)-4-hydroxyphenyl]diazenyl]benzoic acid
CID 135722125

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-[(7-hydroxy-2-methylnaphthalen-1-yl)diazenyl]benzoic acid?
The IUPAC name of 3-hydroxy-4-[(7-hydroxy-2-methylnaphthalen-1-yl)diazenyl]benzoic acid (CID 152793976) is 3-hydroxy-4-[(7-hydroxy-2-methylnaphthalen-1-yl)diazenyl]benzoic acid.
What is the SMILES notation for 3-hydroxy-4-[(7-hydroxy-2-methylnaphthalen-1-yl)diazenyl]benzoic acid?
The canonical SMILES for 3-hydroxy-4-[(7-hydroxy-2-methylnaphthalen-1-yl)diazenyl]benzoic acid is Cc1ccc2ccc(O)cc2c1/N=N/c1ccc(C(=O)O)cc1O.
What is the InChIKey of 3-hydroxy-4-[(7-hydroxy-2-methylnaphthalen-1-yl)diazenyl]benzoic acid?
The InChIKey is SKLYIYAVEGCPPQ-FMQUCBEESA-N. The full InChI is InChI=1S/C18H14N2O4/c1-10-2-3-11-4-6-13(21)9-14(11)17(10)20-19-15-7-5-12(18(23)24)8-16(15)22/h2-9,21-22H,1H3,(H,23,24)/b20-19+.
What are the key properties of 3-hydroxy-4-[(7-hydroxy-2-methylnaphthalen-1-yl)diazenyl]benzoic acid?
3-hydroxy-4-[(7-hydroxy-2-methylnaphthalen-1-yl)diazenyl]benzoic acid has a molecular weight of 322.32 g/mol, XLogP of 4.67, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-[(7-hydroxy-2-methylnaphthalen-1-yl)diazenyl]benzoic acid is sourced from PubChem (CID 152793976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).