3-(phenyldiazenylmethyl)-2,5-bis(prop-2-enyl)benzene-1,4-diol

C19H20N2O2 — CID 56620005

IUPAC3-(phenyldiazenylmethyl)-2,5-bis(prop-2-enyl)benzene-1,4-diol
SMILESC=CCc1cc(O)c(CC=C)c(C/N=N/c2ccccc2)c1O
InChIInChI=1S/C19H20N2O2/c1-3-8-14-12-18(22)16(9-4-2)17(19(14)23)13-20-21-15-10-6-5-7-11-15/h3-7,10-12,22-23H,1-2,8-9,13H2/b21-20+
InChIKeyIEFSBHWWTJBAKQ-QZQOTICOSA-N
MW308.38 g/mol
LogP4.84
Rot. Bonds7

About 3-(phenyldiazenylmethyl)-2,5-bis(prop-2-enyl)benzene-1,4-diol

3-(phenyldiazenylmethyl)-2,5-bis(prop-2-enyl)benzene-1,4-diol (PubChem CID 56620005) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-(phenyldiazenylmethyl)-2,5-bis(prop-2-enyl)benzene-1,4-diol.

Molecular Properties

Compound Name3-(phenyldiazenylmethyl)-2,5-bis(prop-2-enyl)benzene-1,4-diol
PubChem CID56620005
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name3-(phenyldiazenylmethyl)-2,5-bis(prop-2-enyl)benzene-1,4-diol
SMILESC=CCc1cc(O)c(CC=C)c(C/N=N/c2ccccc2)c1O
InChIInChI=1S/C19H20N2O2/c1-3-8-14-12-18(22)16(9-4-2)17(19(14)23)13-20-21-15-10-6-5-7-11-15/h3-7,10-12,22-23H,1-2,8-9,13H2/b21-20+
InChIKeyIEFSBHWWTJBAKQ-QZQOTICOSA-N
XLogP4.84
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(phenyldiazenylmethyl)-2,5-bis(prop-2-enyl)benzene-1,4-diol?
The IUPAC name of 3-(phenyldiazenylmethyl)-2,5-bis(prop-2-enyl)benzene-1,4-diol (CID 56620005) is 3-(phenyldiazenylmethyl)-2,5-bis(prop-2-enyl)benzene-1,4-diol.
What is the SMILES notation for 3-(phenyldiazenylmethyl)-2,5-bis(prop-2-enyl)benzene-1,4-diol?
The canonical SMILES for 3-(phenyldiazenylmethyl)-2,5-bis(prop-2-enyl)benzene-1,4-diol is C=CCc1cc(O)c(CC=C)c(C/N=N/c2ccccc2)c1O.
What is the InChIKey of 3-(phenyldiazenylmethyl)-2,5-bis(prop-2-enyl)benzene-1,4-diol?
The InChIKey is IEFSBHWWTJBAKQ-QZQOTICOSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-3-8-14-12-18(22)16(9-4-2)17(19(14)23)13-20-21-15-10-6-5-7-11-15/h3-7,10-12,22-23H,1-2,8-9,13H2/b21-20+.
What are the key properties of 3-(phenyldiazenylmethyl)-2,5-bis(prop-2-enyl)benzene-1,4-diol?
3-(phenyldiazenylmethyl)-2,5-bis(prop-2-enyl)benzene-1,4-diol has a molecular weight of 308.38 g/mol, XLogP of 4.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phenyldiazenylmethyl)-2,5-bis(prop-2-enyl)benzene-1,4-diol is sourced from PubChem (CID 56620005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).