2-[[(Z)-8-(2-hydroxyanilino)oct-4-en-2,6-diynyl]amino]phenol

C20H18N2O2 — CID 11580545

IUPAC2-[[(Z)-8-(2-hydroxyanilino)oct-4-en-2,6-diynyl]amino]phenol
SMILESOc1ccccc1NCC#C/C=C\C#CCNc1ccccc1O
InChIInChI=1S/C20H18N2O2/c23-19-13-7-5-11-17(19)21-15-9-3-1-2-4-10-16-22-18-12-6-8-14-20(18)24/h1-2,5-8,11-14,21-24H,15-16H2/b2-1-
InChIKeyFRDCROAKBBKOOU-UPHRSURJSA-N
MW318.38 g/mol
LogP3.18
Rot. Bonds4

About 2-[[(Z)-8-(2-hydroxyanilino)oct-4-en-2,6-diynyl]amino]phenol

2-[[(Z)-8-(2-hydroxyanilino)oct-4-en-2,6-diynyl]amino]phenol (PubChem CID 11580545) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 2-[[(Z)-8-(2-hydroxyanilino)oct-4-en-2,6-diynyl]amino]phenol.

Molecular Properties

Compound Name2-[[(Z)-8-(2-hydroxyanilino)oct-4-en-2,6-diynyl]amino]phenol
PubChem CID11580545
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name2-[[(Z)-8-(2-hydroxyanilino)oct-4-en-2,6-diynyl]amino]phenol
SMILESOc1ccccc1NCC#C/C=C\C#CCNc1ccccc1O
InChIInChI=1S/C20H18N2O2/c23-19-13-7-5-11-17(19)21-15-9-3-1-2-4-10-16-22-18-12-6-8-14-20(18)24/h1-2,5-8,11-14,21-24H,15-16H2/b2-1-
InChIKeyFRDCROAKBBKOOU-UPHRSURJSA-N
XLogP3.18
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(hexadecylamino)phenol
CID 154256819
2-(tert-butylamino)phenol
CID 70671108
acetic acid;2-(2-aminoethylamino)phenol
CID 162322741
2-[2-(2-hydroxyanilino)anilino]phenol
CID 19351988
2-[2-(4-ethylanilino)ethylamino]phenol
CID 151020597
4-[(2-hydroxyanilino)methyl]benzene-1,3-diol
CID 21321428
2-[[5-(aminomethyl)-1-methylpyrrol-2-yl]methylamino]phenol
CID 105489855
2-fluoro-N-(3-phenylprop-2-ynyl)aniline
CID 55060373
2-(2-hydroxyanilino)-3,3-dimethylbutanenitrile
CID 14639255
2-[(1-methylpyrazol-4-yl)methylamino]phenol
CID 19614710
2-ethyl-N-(2-hydroxyphenyl)-4,4-dimethylpentanamide
CID 143326178
2-[4-(2-hydroxyanilino)anilino]phenol
CID 67211974

Frequently Asked Questions

What is the IUPAC name of 2-[[(Z)-8-(2-hydroxyanilino)oct-4-en-2,6-diynyl]amino]phenol?
The IUPAC name of 2-[[(Z)-8-(2-hydroxyanilino)oct-4-en-2,6-diynyl]amino]phenol (CID 11580545) is 2-[[(Z)-8-(2-hydroxyanilino)oct-4-en-2,6-diynyl]amino]phenol.
What is the SMILES notation for 2-[[(Z)-8-(2-hydroxyanilino)oct-4-en-2,6-diynyl]amino]phenol?
The canonical SMILES for 2-[[(Z)-8-(2-hydroxyanilino)oct-4-en-2,6-diynyl]amino]phenol is Oc1ccccc1NCC#C/C=C\C#CCNc1ccccc1O.
What is the InChIKey of 2-[[(Z)-8-(2-hydroxyanilino)oct-4-en-2,6-diynyl]amino]phenol?
The InChIKey is FRDCROAKBBKOOU-UPHRSURJSA-N. The full InChI is InChI=1S/C20H18N2O2/c23-19-13-7-5-11-17(19)21-15-9-3-1-2-4-10-16-22-18-12-6-8-14-20(18)24/h1-2,5-8,11-14,21-24H,15-16H2/b2-1-.
What are the key properties of 2-[[(Z)-8-(2-hydroxyanilino)oct-4-en-2,6-diynyl]amino]phenol?
2-[[(Z)-8-(2-hydroxyanilino)oct-4-en-2,6-diynyl]amino]phenol has a molecular weight of 318.38 g/mol, XLogP of 3.18, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(Z)-8-(2-hydroxyanilino)oct-4-en-2,6-diynyl]amino]phenol is sourced from PubChem (CID 11580545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).