4-[3-[(2-hydroxynaphthalen-1-yl)diazenyl]thiophen-2-yl]butanoic acid

C18H16N2O3S — CID 135433180

IUPAC4-[3-[(2-hydroxynaphthalen-1-yl)diazenyl]thiophen-2-yl]butanoic acid
SMILESO=C(O)CCCc1sccc1/N=N/c1c(O)ccc2ccccc12
InChIInChI=1S/C18H16N2O3S/c21-15-9-8-12-4-1-2-5-13(12)18(15)20-19-14-10-11-24-16(14)6-3-7-17(22)23/h1-2,4-5,8-11,21H,3,6-7H2,(H,22,23)/b20-19+
InChIKeyWEIJHIKGHDELEJ-FMQUCBEESA-N
MW340.40 g/mol
LogP5.43
Rot. Bonds6

About 4-[3-[(2-hydroxynaphthalen-1-yl)diazenyl]thiophen-2-yl]butanoic acid

4-[3-[(2-hydroxynaphthalen-1-yl)diazenyl]thiophen-2-yl]butanoic acid (PubChem CID 135433180) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is 4-[3-[(2-hydroxynaphthalen-1-yl)diazenyl]thiophen-2-yl]butanoic acid.

Molecular Properties

Compound Name4-[3-[(2-hydroxynaphthalen-1-yl)diazenyl]thiophen-2-yl]butanoic acid
PubChem CID135433180
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC Name4-[3-[(2-hydroxynaphthalen-1-yl)diazenyl]thiophen-2-yl]butanoic acid
SMILESO=C(O)CCCc1sccc1/N=N/c1c(O)ccc2ccccc12
InChIInChI=1S/C18H16N2O3S/c21-15-9-8-12-4-1-2-5-13(12)18(15)20-19-14-10-11-24-16(14)6-3-7-17(22)23/h1-2,4-5,8-11,21H,3,6-7H2,(H,22,23)/b20-19+
InChIKeyWEIJHIKGHDELEJ-FMQUCBEESA-N
XLogP5.43
TPSA82.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.40
LogP ≤ 55.43
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2-hydroxynaphthalen-1-yl)diazenyl]thiophen-2-yl]butanoic acid?
The IUPAC name of 4-[3-[(2-hydroxynaphthalen-1-yl)diazenyl]thiophen-2-yl]butanoic acid (CID 135433180) is 4-[3-[(2-hydroxynaphthalen-1-yl)diazenyl]thiophen-2-yl]butanoic acid.
What is the SMILES notation for 4-[3-[(2-hydroxynaphthalen-1-yl)diazenyl]thiophen-2-yl]butanoic acid?
The canonical SMILES for 4-[3-[(2-hydroxynaphthalen-1-yl)diazenyl]thiophen-2-yl]butanoic acid is O=C(O)CCCc1sccc1/N=N/c1c(O)ccc2ccccc12.
What is the InChIKey of 4-[3-[(2-hydroxynaphthalen-1-yl)diazenyl]thiophen-2-yl]butanoic acid?
The InChIKey is WEIJHIKGHDELEJ-FMQUCBEESA-N. The full InChI is InChI=1S/C18H16N2O3S/c21-15-9-8-12-4-1-2-5-13(12)18(15)20-19-14-10-11-24-16(14)6-3-7-17(22)23/h1-2,4-5,8-11,21H,3,6-7H2,(H,22,23)/b20-19+.
What are the key properties of 4-[3-[(2-hydroxynaphthalen-1-yl)diazenyl]thiophen-2-yl]butanoic acid?
4-[3-[(2-hydroxynaphthalen-1-yl)diazenyl]thiophen-2-yl]butanoic acid has a molecular weight of 340.40 g/mol, XLogP of 5.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2-hydroxynaphthalen-1-yl)diazenyl]thiophen-2-yl]butanoic acid is sourced from PubChem (CID 135433180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).