[3-hydroxy-4-(naphthalen-1-yldiazenyl)naphthalen-2-yl] prop-2-enoate

C23H16N2O3 — CID 135847581

IUPAC[3-hydroxy-4-(naphthalen-1-yldiazenyl)naphthalen-2-yl] prop-2-enoate
SMILESC=CC(=O)Oc1cc2ccccc2c(/N=N/c2cccc3ccccc23)c1O
InChIInChI=1S/C23H16N2O3/c1-2-21(26)28-20-14-16-9-4-6-12-18(16)22(23(20)27)25-24-19-13-7-10-15-8-3-5-11-17(15)19/h2-14,27H,1H2/b25-24+
InChIKeyTVBNNEVVMHXVJC-OCOZRVBESA-N
MW368.39 g/mol
LogP6.21
Rot. Bonds4

About [3-hydroxy-4-(naphthalen-1-yldiazenyl)naphthalen-2-yl] prop-2-enoate

[3-hydroxy-4-(naphthalen-1-yldiazenyl)naphthalen-2-yl] prop-2-enoate (PubChem CID 135847581) has the molecular formula C23H16N2O3 and a molecular weight of 368.39 g/mol. Its IUPAC name is [3-hydroxy-4-(naphthalen-1-yldiazenyl)naphthalen-2-yl] prop-2-enoate.

Molecular Properties

Compound Name[3-hydroxy-4-(naphthalen-1-yldiazenyl)naphthalen-2-yl] prop-2-enoate
PubChem CID135847581
Molecular FormulaC23H16N2O3
Molecular Weight368.39 g/mol
Exact Mass368.12
IUPAC Name[3-hydroxy-4-(naphthalen-1-yldiazenyl)naphthalen-2-yl] prop-2-enoate
SMILESC=CC(=O)Oc1cc2ccccc2c(/N=N/c2cccc3ccccc23)c1O
InChIInChI=1S/C23H16N2O3/c1-2-21(26)28-20-14-16-9-4-6-12-18(16)22(23(20)27)25-24-19-13-7-10-15-8-3-5-11-17(15)19/h2-14,27H,1H2/b25-24+
InChIKeyTVBNNEVVMHXVJC-OCOZRVBESA-N
XLogP6.21
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.39
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[3-methyl-4-[(2-methylphenyl)diazenyl]naphthalen-2-yl] prop-2-enoate
CID 174479372
naphthalen-1-yl prop-2-enoate
CID 10192638
[2-[(2-prop-2-enoyloxyphenyl)diazenyl]phenyl] prop-2-enoate
CID 89405419
(4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate
CID 70427728
[4-hydroxy-2-(2-naphthalen-1-yloxyethyl)phenyl] prop-2-enoate
CID 91135310
prop-2-enyl 3-prop-2-enoyloxynaphthalene-2-carboxylate
CID 58097687
2-prop-2-enoyloxynaphthalene-1-sulfonic acid
CID 19032205
(3-hydroxy-2-methyl-4-phenyldiazenylnaphthalen-1-yl) prop-2-enoate
CID 174479381
[3-[6,7-di(prop-2-enoyloxy)phenanthren-1-yl]-2-prop-2-enoyloxyphenyl] prop-2-enoate
CID 118013838
sodium 5-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-2-sulfonate
CID 135488958
phenanthrene;prop-2-enoic acid
CID 88600118
2-hydroxy-3-(2-prop-2-enoyloxyethoxy)naphthalene-1-carboxylic acid
CID 22348600

Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-4-(naphthalen-1-yldiazenyl)naphthalen-2-yl] prop-2-enoate?
The IUPAC name of [3-hydroxy-4-(naphthalen-1-yldiazenyl)naphthalen-2-yl] prop-2-enoate (CID 135847581) is [3-hydroxy-4-(naphthalen-1-yldiazenyl)naphthalen-2-yl] prop-2-enoate.
What is the SMILES notation for [3-hydroxy-4-(naphthalen-1-yldiazenyl)naphthalen-2-yl] prop-2-enoate?
The canonical SMILES for [3-hydroxy-4-(naphthalen-1-yldiazenyl)naphthalen-2-yl] prop-2-enoate is C=CC(=O)Oc1cc2ccccc2c(/N=N/c2cccc3ccccc23)c1O.
What is the InChIKey of [3-hydroxy-4-(naphthalen-1-yldiazenyl)naphthalen-2-yl] prop-2-enoate?
The InChIKey is TVBNNEVVMHXVJC-OCOZRVBESA-N. The full InChI is InChI=1S/C23H16N2O3/c1-2-21(26)28-20-14-16-9-4-6-12-18(16)22(23(20)27)25-24-19-13-7-10-15-8-3-5-11-17(15)19/h2-14,27H,1H2/b25-24+.
What are the key properties of [3-hydroxy-4-(naphthalen-1-yldiazenyl)naphthalen-2-yl] prop-2-enoate?
[3-hydroxy-4-(naphthalen-1-yldiazenyl)naphthalen-2-yl] prop-2-enoate has a molecular weight of 368.39 g/mol, XLogP of 6.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-4-(naphthalen-1-yldiazenyl)naphthalen-2-yl] prop-2-enoate is sourced from PubChem (CID 135847581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).