2-[bis(prop-2-enyl)amino]-4,5-bis(prop-2-enyl)phenol

C18H23NO — CID 67813640

IUPAC2-[bis(prop-2-enyl)amino]-4,5-bis(prop-2-enyl)phenol
SMILESC=CCc1cc(O)c(N(CC=C)CC=C)cc1CC=C
InChIInChI=1S/C18H23NO/c1-5-9-15-13-17(19(11-7-3)12-8-4)18(20)14-16(15)10-6-2/h5-8,13-14,20H,1-4,9-12H2
InChIKeyZTZYYCQFEUOVFF-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.03
Rot. Bonds9

About 2-[bis(prop-2-enyl)amino]-4,5-bis(prop-2-enyl)phenol

2-[bis(prop-2-enyl)amino]-4,5-bis(prop-2-enyl)phenol (PubChem CID 67813640) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-[bis(prop-2-enyl)amino]-4,5-bis(prop-2-enyl)phenol.

Molecular Properties

Compound Name2-[bis(prop-2-enyl)amino]-4,5-bis(prop-2-enyl)phenol
PubChem CID67813640
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name2-[bis(prop-2-enyl)amino]-4,5-bis(prop-2-enyl)phenol
SMILESC=CCc1cc(O)c(N(CC=C)CC=C)cc1CC=C
InChIInChI=1S/C18H23NO/c1-5-9-15-13-17(19(11-7-3)12-8-4)18(20)14-16(15)10-6-2/h5-8,13-14,20H,1-4,9-12H2
InChIKeyZTZYYCQFEUOVFF-UHFFFAOYSA-N
XLogP4.03
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(prop-2-enyl)amino]-4,5-bis(prop-2-enyl)phenol?
The IUPAC name of 2-[bis(prop-2-enyl)amino]-4,5-bis(prop-2-enyl)phenol (CID 67813640) is 2-[bis(prop-2-enyl)amino]-4,5-bis(prop-2-enyl)phenol.
What is the SMILES notation for 2-[bis(prop-2-enyl)amino]-4,5-bis(prop-2-enyl)phenol?
The canonical SMILES for 2-[bis(prop-2-enyl)amino]-4,5-bis(prop-2-enyl)phenol is C=CCc1cc(O)c(N(CC=C)CC=C)cc1CC=C.
What is the InChIKey of 2-[bis(prop-2-enyl)amino]-4,5-bis(prop-2-enyl)phenol?
The InChIKey is ZTZYYCQFEUOVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-5-9-15-13-17(19(11-7-3)12-8-4)18(20)14-16(15)10-6-2/h5-8,13-14,20H,1-4,9-12H2.
What are the key properties of 2-[bis(prop-2-enyl)amino]-4,5-bis(prop-2-enyl)phenol?
2-[bis(prop-2-enyl)amino]-4,5-bis(prop-2-enyl)phenol has a molecular weight of 269.39 g/mol, XLogP of 4.03, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(prop-2-enyl)amino]-4,5-bis(prop-2-enyl)phenol is sourced from PubChem (CID 67813640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).