2-(4-methoxy-3-prop-2-enylphenyl)-6-nitro-4-prop-2-enylphenol

C19H19NO4 — CID 53392862

IUPAC2-(4-methoxy-3-prop-2-enylphenyl)-6-nitro-4-prop-2-enylphenol
SMILESC=CCc1cc(-c2ccc(OC)c(CC=C)c2)c(O)c([N+](=O)[O-])c1
InChIInChI=1S/C19H19NO4/c1-4-6-13-10-16(19(21)17(11-13)20(22)23)14-8-9-18(24-3)15(12-14)7-5-2/h4-5,8-12,21H,1-2,6-7H2,3H3
InChIKeyJVQDQHUSQDBSFN-UHFFFAOYSA-N
MW325.36 g/mol
LogP4.43
Rot. Bonds7

About 2-(4-methoxy-3-prop-2-enylphenyl)-6-nitro-4-prop-2-enylphenol

2-(4-methoxy-3-prop-2-enylphenyl)-6-nitro-4-prop-2-enylphenol (PubChem CID 53392862) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is 2-(4-methoxy-3-prop-2-enylphenyl)-6-nitro-4-prop-2-enylphenol.

Molecular Properties

Compound Name2-(4-methoxy-3-prop-2-enylphenyl)-6-nitro-4-prop-2-enylphenol
PubChem CID53392862
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name2-(4-methoxy-3-prop-2-enylphenyl)-6-nitro-4-prop-2-enylphenol
SMILESC=CCc1cc(-c2ccc(OC)c(CC=C)c2)c(O)c([N+](=O)[O-])c1
InChIInChI=1S/C19H19NO4/c1-4-6-13-10-16(19(21)17(11-13)20(22)23)14-8-9-18(24-3)15(12-14)7-5-2/h4-5,8-12,21H,1-2,6-7H2,3H3
InChIKeyJVQDQHUSQDBSFN-UHFFFAOYSA-N
XLogP4.43
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-prop-2-enylphenyl)-6-nitro-4-prop-2-enylphenol?
The IUPAC name of 2-(4-methoxy-3-prop-2-enylphenyl)-6-nitro-4-prop-2-enylphenol (CID 53392862) is 2-(4-methoxy-3-prop-2-enylphenyl)-6-nitro-4-prop-2-enylphenol.
What is the SMILES notation for 2-(4-methoxy-3-prop-2-enylphenyl)-6-nitro-4-prop-2-enylphenol?
The canonical SMILES for 2-(4-methoxy-3-prop-2-enylphenyl)-6-nitro-4-prop-2-enylphenol is C=CCc1cc(-c2ccc(OC)c(CC=C)c2)c(O)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(4-methoxy-3-prop-2-enylphenyl)-6-nitro-4-prop-2-enylphenol?
The InChIKey is JVQDQHUSQDBSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-4-6-13-10-16(19(21)17(11-13)20(22)23)14-8-9-18(24-3)15(12-14)7-5-2/h4-5,8-12,21H,1-2,6-7H2,3H3.
What are the key properties of 2-(4-methoxy-3-prop-2-enylphenyl)-6-nitro-4-prop-2-enylphenol?
2-(4-methoxy-3-prop-2-enylphenyl)-6-nitro-4-prop-2-enylphenol has a molecular weight of 325.36 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-prop-2-enylphenyl)-6-nitro-4-prop-2-enylphenol is sourced from PubChem (CID 53392862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).