2-[(E,3E)-3-(propan-2-ylidenehydrazinylidene)hex-1-enyl]phenol

C15H20N2O — CID 142029168

IUPAC2-[(E,3E)-3-(propan-2-ylidenehydrazinylidene)hex-1-enyl]phenol
SMILESCCCC(/C=C/c1ccccc1O)=N\N=C(C)C
InChIInChI=1S/C15H20N2O/c1-4-7-14(17-16-12(2)3)11-10-13-8-5-6-9-15(13)18/h5-6,8-11,18H,4,7H2,1-3H3/b11-10+,17-14+
InChIKeyNJUGIPJBWPBBDH-PKAMWHFSSA-N
MW244.34 g/mol
LogP4.04
Rot. Bonds5

About 2-[(E,3E)-3-(propan-2-ylidenehydrazinylidene)hex-1-enyl]phenol

2-[(E,3E)-3-(propan-2-ylidenehydrazinylidene)hex-1-enyl]phenol (PubChem CID 142029168) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-[(E,3E)-3-(propan-2-ylidenehydrazinylidene)hex-1-enyl]phenol.

Molecular Properties

Compound Name2-[(E,3E)-3-(propan-2-ylidenehydrazinylidene)hex-1-enyl]phenol
PubChem CID142029168
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-[(E,3E)-3-(propan-2-ylidenehydrazinylidene)hex-1-enyl]phenol
SMILESCCCC(/C=C/c1ccccc1O)=N\N=C(C)C
InChIInChI=1S/C15H20N2O/c1-4-7-14(17-16-12(2)3)11-10-13-8-5-6-9-15(13)18/h5-6,8-11,18H,4,7H2,1-3H3/b11-10+,17-14+
InChIKeyNJUGIPJBWPBBDH-PKAMWHFSSA-N
XLogP4.04
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-4-(2-hydroxyphenyl)but-3-en-2-one
CID 5356585
2-[(E)-[(Z)-4-(2-hydroxyphenyl)but-3-en-2-ylidene]amino]guanidine
CID 136811096
ethane;2-[(Z)-pent-1-enyl]phenol
CID 142052125
6-(2-hydroxyphenyl)hex-5-ene-2,4-dione
CID 91017486
(2Z,4E)-5-(2-hydroxyphenyl)-3-methylpenta-2,4-dienoic acid
CID 15150197
(1Z,4E)-1,5-bis(2-hydroxyphenyl)penta-1,4-dien-3-one
CID 6436784
2-[(1Z,3Z)-hexa-1,3-dienyl]phenol
CID 89362238
1-(2-hydroxyphenyl)-4-methylpenta-1,4-dien-3-one
CID 154111061
(Z)-3-(2-hydroxyphenyl)prop-2-enoic acid
CID 5280841
2-octa-1,3-dienylphenol
CID 54092888
N-[(E)-(2-hydroxyphenyl)methylideneamino]pentanamide
CID 135509646
bis(2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol);iron;methanol
CID 135440481

Frequently Asked Questions

What is the IUPAC name of 2-[(E,3E)-3-(propan-2-ylidenehydrazinylidene)hex-1-enyl]phenol?
The IUPAC name of 2-[(E,3E)-3-(propan-2-ylidenehydrazinylidene)hex-1-enyl]phenol (CID 142029168) is 2-[(E,3E)-3-(propan-2-ylidenehydrazinylidene)hex-1-enyl]phenol.
What is the SMILES notation for 2-[(E,3E)-3-(propan-2-ylidenehydrazinylidene)hex-1-enyl]phenol?
The canonical SMILES for 2-[(E,3E)-3-(propan-2-ylidenehydrazinylidene)hex-1-enyl]phenol is CCCC(/C=C/c1ccccc1O)=N\N=C(C)C.
What is the InChIKey of 2-[(E,3E)-3-(propan-2-ylidenehydrazinylidene)hex-1-enyl]phenol?
The InChIKey is NJUGIPJBWPBBDH-PKAMWHFSSA-N. The full InChI is InChI=1S/C15H20N2O/c1-4-7-14(17-16-12(2)3)11-10-13-8-5-6-9-15(13)18/h5-6,8-11,18H,4,7H2,1-3H3/b11-10+,17-14+.
What are the key properties of 2-[(E,3E)-3-(propan-2-ylidenehydrazinylidene)hex-1-enyl]phenol?
2-[(E,3E)-3-(propan-2-ylidenehydrazinylidene)hex-1-enyl]phenol has a molecular weight of 244.34 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E,3E)-3-(propan-2-ylidenehydrazinylidene)hex-1-enyl]phenol is sourced from PubChem (CID 142029168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).