2-[[(2E,4E,6E)-deca-2,4,6-trienylidene]amino]phenol

C16H19NO — CID 142884962

IUPAC2-[[(2E,4E,6E)-deca-2,4,6-trienylidene]amino]phenol
SMILESCCC/C=C/C=C/C=C/C=N/c1ccccc1O
InChIInChI=1S/C16H19NO/c1-2-3-4-5-6-7-8-11-14-17-15-12-9-10-13-16(15)18/h4-14,18H,2-3H2,1H3/b5-4+,7-6+,11-8+,17-14+
InChIKeyBOHKBHJSAIXJPW-KXAFWTNHSA-N
MW241.33 g/mol
LogP4.56
Rot. Bonds6

About 2-[[(2E,4E,6E)-deca-2,4,6-trienylidene]amino]phenol

2-[[(2E,4E,6E)-deca-2,4,6-trienylidene]amino]phenol (PubChem CID 142884962) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-[[(2E,4E,6E)-deca-2,4,6-trienylidene]amino]phenol.

Molecular Properties

Compound Name2-[[(2E,4E,6E)-deca-2,4,6-trienylidene]amino]phenol
PubChem CID142884962
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name2-[[(2E,4E,6E)-deca-2,4,6-trienylidene]amino]phenol
SMILESCCC/C=C/C=C/C=C/C=N/c1ccccc1O
InChIInChI=1S/C16H19NO/c1-2-3-4-5-6-7-8-11-14-17-15-12-9-10-13-16(15)18/h4-14,18H,2-3H2,1H3/b5-4+,7-6+,11-8+,17-14+
InChIKeyBOHKBHJSAIXJPW-KXAFWTNHSA-N
XLogP4.56
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2E,4E,6E)-deca-2,4,6-trienylidene]amino]phenol?
The IUPAC name of 2-[[(2E,4E,6E)-deca-2,4,6-trienylidene]amino]phenol (CID 142884962) is 2-[[(2E,4E,6E)-deca-2,4,6-trienylidene]amino]phenol.
What is the SMILES notation for 2-[[(2E,4E,6E)-deca-2,4,6-trienylidene]amino]phenol?
The canonical SMILES for 2-[[(2E,4E,6E)-deca-2,4,6-trienylidene]amino]phenol is CCC/C=C/C=C/C=C/C=N/c1ccccc1O.
What is the InChIKey of 2-[[(2E,4E,6E)-deca-2,4,6-trienylidene]amino]phenol?
The InChIKey is BOHKBHJSAIXJPW-KXAFWTNHSA-N. The full InChI is InChI=1S/C16H19NO/c1-2-3-4-5-6-7-8-11-14-17-15-12-9-10-13-16(15)18/h4-14,18H,2-3H2,1H3/b5-4+,7-6+,11-8+,17-14+.
What are the key properties of 2-[[(2E,4E,6E)-deca-2,4,6-trienylidene]amino]phenol?
2-[[(2E,4E,6E)-deca-2,4,6-trienylidene]amino]phenol has a molecular weight of 241.33 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2E,4E,6E)-deca-2,4,6-trienylidene]amino]phenol is sourced from PubChem (CID 142884962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).