2-benzyl-4-(phenylhydrazinylidene)butan-1-ol

C17H20N2O — CID 139676092

IUPAC2-benzyl-4-(phenylhydrazinylidene)butan-1-ol
SMILESOCC(CC=NNc1ccccc1)Cc1ccccc1
InChIInChI=1S/C17H20N2O/c20-14-16(13-15-7-3-1-4-8-15)11-12-18-19-17-9-5-2-6-10-17/h1-10,12,16,19-20H,11,13-14H2
InChIKeyGNFADMFBUVIDGM-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.33
Rot. Bonds7

About 2-benzyl-4-(phenylhydrazinylidene)butan-1-ol

2-benzyl-4-(phenylhydrazinylidene)butan-1-ol (PubChem CID 139676092) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-benzyl-4-(phenylhydrazinylidene)butan-1-ol.

Molecular Properties

Compound Name2-benzyl-4-(phenylhydrazinylidene)butan-1-ol
PubChem CID139676092
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name2-benzyl-4-(phenylhydrazinylidene)butan-1-ol
SMILESOCC(CC=NNc1ccccc1)Cc1ccccc1
InChIInChI=1S/C17H20N2O/c20-14-16(13-15-7-3-1-4-8-15)11-12-18-19-17-9-5-2-6-10-17/h1-10,12,16,19-20H,11,13-14H2
InChIKeyGNFADMFBUVIDGM-UHFFFAOYSA-N
XLogP3.33
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.33
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-(phenylhydrazinylidene)butan-1-ol?
The IUPAC name of 2-benzyl-4-(phenylhydrazinylidene)butan-1-ol (CID 139676092) is 2-benzyl-4-(phenylhydrazinylidene)butan-1-ol.
What is the SMILES notation for 2-benzyl-4-(phenylhydrazinylidene)butan-1-ol?
The canonical SMILES for 2-benzyl-4-(phenylhydrazinylidene)butan-1-ol is OCC(CC=NNc1ccccc1)Cc1ccccc1.
What is the InChIKey of 2-benzyl-4-(phenylhydrazinylidene)butan-1-ol?
The InChIKey is GNFADMFBUVIDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c20-14-16(13-15-7-3-1-4-8-15)11-12-18-19-17-9-5-2-6-10-17/h1-10,12,16,19-20H,11,13-14H2.
What are the key properties of 2-benzyl-4-(phenylhydrazinylidene)butan-1-ol?
2-benzyl-4-(phenylhydrazinylidene)butan-1-ol has a molecular weight of 268.36 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-(phenylhydrazinylidene)butan-1-ol is sourced from PubChem (CID 139676092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).