4-methylimino-1-(4-phenylphenyl)cyclohexa-2,5-dien-1-ol

C19H17NO — CID 100944508

IUPAC4-methylimino-1-(4-phenylphenyl)cyclohexa-2,5-dien-1-ol
SMILESCN=C1C=CC(O)(c2ccc(-c3ccccc3)cc2)C=C1
InChIInChI=1S/C19H17NO/c1-20-18-11-13-19(21,14-12-18)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-14,21H,1H3/b20-18-
InChIKeyULNISEUUMAEHNC-ZZEZOPTASA-N
MW275.35 g/mol
LogP3.74
Rot. Bonds2

About 4-methylimino-1-(4-phenylphenyl)cyclohexa-2,5-dien-1-ol

4-methylimino-1-(4-phenylphenyl)cyclohexa-2,5-dien-1-ol (PubChem CID 100944508) has the molecular formula C19H17NO and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-methylimino-1-(4-phenylphenyl)cyclohexa-2,5-dien-1-ol.

Molecular Properties

Compound Name4-methylimino-1-(4-phenylphenyl)cyclohexa-2,5-dien-1-ol
PubChem CID100944508
Molecular FormulaC19H17NO
Molecular Weight275.35 g/mol
Exact Mass275.13
IUPAC Name4-methylimino-1-(4-phenylphenyl)cyclohexa-2,5-dien-1-ol
SMILESCN=C1C=CC(O)(c2ccc(-c3ccccc3)cc2)C=C1
InChIInChI=1S/C19H17NO/c1-20-18-11-13-19(21,14-12-18)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-14,21H,1H3/b20-18-
InChIKeyULNISEUUMAEHNC-ZZEZOPTASA-N
XLogP3.74
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methylimino-1-(4-phenylphenyl)cyclohexa-2,5-dien-1-ol?
The IUPAC name of 4-methylimino-1-(4-phenylphenyl)cyclohexa-2,5-dien-1-ol (CID 100944508) is 4-methylimino-1-(4-phenylphenyl)cyclohexa-2,5-dien-1-ol.
What is the SMILES notation for 4-methylimino-1-(4-phenylphenyl)cyclohexa-2,5-dien-1-ol?
The canonical SMILES for 4-methylimino-1-(4-phenylphenyl)cyclohexa-2,5-dien-1-ol is CN=C1C=CC(O)(c2ccc(-c3ccccc3)cc2)C=C1.
What is the InChIKey of 4-methylimino-1-(4-phenylphenyl)cyclohexa-2,5-dien-1-ol?
The InChIKey is ULNISEUUMAEHNC-ZZEZOPTASA-N. The full InChI is InChI=1S/C19H17NO/c1-20-18-11-13-19(21,14-12-18)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-14,21H,1H3/b20-18-.
What are the key properties of 4-methylimino-1-(4-phenylphenyl)cyclohexa-2,5-dien-1-ol?
4-methylimino-1-(4-phenylphenyl)cyclohexa-2,5-dien-1-ol has a molecular weight of 275.35 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylimino-1-(4-phenylphenyl)cyclohexa-2,5-dien-1-ol is sourced from PubChem (CID 100944508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).