4-hexyl-6-[(Z)-(phenylhydrazinylidene)methyl]benzene-1,3-diol

C19H24N2O2 — CID 136836361

IUPAC4-hexyl-6-[(Z)-(phenylhydrazinylidene)methyl]benzene-1,3-diol
SMILESCCCCCCc1cc(/C=N\Nc2ccccc2)c(O)cc1O
InChIInChI=1S/C19H24N2O2/c1-2-3-4-6-9-15-12-16(19(23)13-18(15)22)14-20-21-17-10-7-5-8-11-17/h5,7-8,10-14,21-23H,2-4,6,9H2,1H3/b20-14-
InChIKeyWULUMFVPTJVDAM-ZHZULCJRSA-N
MW312.41 g/mol
LogP4.67
Rot. Bonds8

About 4-hexyl-6-[(Z)-(phenylhydrazinylidene)methyl]benzene-1,3-diol

4-hexyl-6-[(Z)-(phenylhydrazinylidene)methyl]benzene-1,3-diol (PubChem CID 136836361) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 4-hexyl-6-[(Z)-(phenylhydrazinylidene)methyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-hexyl-6-[(Z)-(phenylhydrazinylidene)methyl]benzene-1,3-diol
PubChem CID136836361
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name4-hexyl-6-[(Z)-(phenylhydrazinylidene)methyl]benzene-1,3-diol
SMILESCCCCCCc1cc(/C=N\Nc2ccccc2)c(O)cc1O
InChIInChI=1S/C19H24N2O2/c1-2-3-4-6-9-15-12-16(19(23)13-18(15)22)14-20-21-17-10-7-5-8-11-17/h5,7-8,10-14,21-23H,2-4,6,9H2,1H3/b20-14-
InChIKeyWULUMFVPTJVDAM-ZHZULCJRSA-N
XLogP4.67
TPSA64.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-2-[(phenylhydrazinylidene)methyl]phenol
CID 169381557
4-heptyl-2,5-di(pentadecyl)phenol
CID 90276181
N-[(3,5-difluoro-2-hexoxyphenyl)methylideneamino]aniline
CID 169381904
4-tert-butyl-2-[(phenylhydrazinylidene)methyl]phenol
CID 169381697
4-chloro-6-heptylbenzene-1,3-diol
CID 23195029
4-benzyl-2-[(phenylhydrazinylidene)methyl]phenol
CID 169382303
N-[(2-heptylphenyl)methylidene]hydroxylamine
CID 160567988
2-dodecylphenol
CID 160834917
N-[[2-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]aniline
CID 169382076
N-[(3-fluoro-5-hexoxyphenyl)methylideneamino]aniline
CID 169382049
CID 69025009
CID 69025009
2-octylphenol;tungsten
CID 157237523

Frequently Asked Questions

What is the IUPAC name of 4-hexyl-6-[(Z)-(phenylhydrazinylidene)methyl]benzene-1,3-diol?
The IUPAC name of 4-hexyl-6-[(Z)-(phenylhydrazinylidene)methyl]benzene-1,3-diol (CID 136836361) is 4-hexyl-6-[(Z)-(phenylhydrazinylidene)methyl]benzene-1,3-diol.
What is the SMILES notation for 4-hexyl-6-[(Z)-(phenylhydrazinylidene)methyl]benzene-1,3-diol?
The canonical SMILES for 4-hexyl-6-[(Z)-(phenylhydrazinylidene)methyl]benzene-1,3-diol is CCCCCCc1cc(/C=N\Nc2ccccc2)c(O)cc1O.
What is the InChIKey of 4-hexyl-6-[(Z)-(phenylhydrazinylidene)methyl]benzene-1,3-diol?
The InChIKey is WULUMFVPTJVDAM-ZHZULCJRSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-2-3-4-6-9-15-12-16(19(23)13-18(15)22)14-20-21-17-10-7-5-8-11-17/h5,7-8,10-14,21-23H,2-4,6,9H2,1H3/b20-14-.
What are the key properties of 4-hexyl-6-[(Z)-(phenylhydrazinylidene)methyl]benzene-1,3-diol?
4-hexyl-6-[(Z)-(phenylhydrazinylidene)methyl]benzene-1,3-diol has a molecular weight of 312.41 g/mol, XLogP of 4.67, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexyl-6-[(Z)-(phenylhydrazinylidene)methyl]benzene-1,3-diol is sourced from PubChem (CID 136836361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).