2-[(pentylhydrazinylidene)methyl]phenol

C12H18N2O — CID 173213251

IUPAC2-[(pentylhydrazinylidene)methyl]phenol
SMILESCCCCCNN=Cc1ccccc1O
InChIInChI=1S/C12H18N2O/c1-2-3-6-9-13-14-10-11-7-4-5-8-12(11)15/h4-5,7-8,10,13,15H,2-3,6,9H2,1H3
InChIKeyAZUNEOJYVGEAES-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.51
Rot. Bonds6

About 2-[(pentylhydrazinylidene)methyl]phenol

2-[(pentylhydrazinylidene)methyl]phenol (PubChem CID 173213251) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-[(pentylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name2-[(pentylhydrazinylidene)methyl]phenol
PubChem CID173213251
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-[(pentylhydrazinylidene)methyl]phenol
SMILESCCCCCNN=Cc1ccccc1O
InChIInChI=1S/C12H18N2O/c1-2-3-6-9-13-14-10-11-7-4-5-8-12(11)15/h4-5,7-8,10,13,15H,2-3,6,9H2,1H3
InChIKeyAZUNEOJYVGEAES-UHFFFAOYSA-N
XLogP2.51
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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

1-hexadecyl-3-[(Z)-(2-hydroxyphenyl)methylideneamino]thiourea
CID 136759286
1-[(2-hydroxyphenyl)methylideneamino]-3-octadecylthiourea
CID 3419652
N-[(2-hydroxyphenyl)methylideneamino]octanamide
CID 3393777
N-[(2-hydroxyphenyl)methylideneamino]undecanamide
CID 5053269
N-[(E)-(2-hydroxyphenyl)methylideneamino]pentanamide
CID 135509646
N-[(Z)-(2-hydroxyphenyl)methylideneamino]hexadecane-1-sulfonamide
CID 136678661
N-(benzylideneamino)butan-1-amine
CID 173252252
N-[2-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]tetradecanamide
CID 136719377
N-[(2-hydroxyphenyl)methylideneamino]ethanesulfonamide
CID 137228781
4-butoxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 136762755
2-[2-[1-(2-hydroxyphenyl)heptylamino]ethyliminomethyl]phenol
CID 136749777
2-[(E)-[[1-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-methylprop-1-enyl]hydrazinylidene]methyl]phenol
CID 166987250

Frequently Asked Questions

What is the IUPAC name of 2-[(pentylhydrazinylidene)methyl]phenol?
The IUPAC name of 2-[(pentylhydrazinylidene)methyl]phenol (CID 173213251) is 2-[(pentylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 2-[(pentylhydrazinylidene)methyl]phenol?
The canonical SMILES for 2-[(pentylhydrazinylidene)methyl]phenol is CCCCCNN=Cc1ccccc1O.
What is the InChIKey of 2-[(pentylhydrazinylidene)methyl]phenol?
The InChIKey is AZUNEOJYVGEAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-2-3-6-9-13-14-10-11-7-4-5-8-12(11)15/h4-5,7-8,10,13,15H,2-3,6,9H2,1H3.
What are the key properties of 2-[(pentylhydrazinylidene)methyl]phenol?
2-[(pentylhydrazinylidene)methyl]phenol has a molecular weight of 206.29 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(pentylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 173213251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).