(1S)-4-(3-chloro-4-methylphenyl)imino-1,2-diphenylcyclopent-2-en-1-ol

C24H20ClNO — CID 7741379

IUPAC(1S)-4-(3-chloro-4-methylphenyl)imino-1,2-diphenylcyclopent-2-en-1-ol
SMILESCc1ccc(/N=C2\C=C(c3ccccc3)[C@@](O)(c3ccccc3)C2)cc1Cl
InChIInChI=1S/C24H20ClNO/c1-17-12-13-20(15-23(17)25)26-21-14-22(18-8-4-2-5-9-18)24(27,16-21)19-10-6-3-7-11-19/h2-15,27H,16H2,1H3/b26-21+/t24-/m0/s1
InChIKeyJOHFEEFJMAIIPY-TXNNXSEXSA-N
MW373.88 g/mol
LogP6.10
Rot. Bonds3

About (1S)-4-(3-chloro-4-methylphenyl)imino-1,2-diphenylcyclopent-2-en-1-ol

(1S)-4-(3-chloro-4-methylphenyl)imino-1,2-diphenylcyclopent-2-en-1-ol (PubChem CID 7741379) has the molecular formula C24H20ClNO and a molecular weight of 373.88 g/mol. Its IUPAC name is (1S)-4-(3-chloro-4-methylphenyl)imino-1,2-diphenylcyclopent-2-en-1-ol.

Molecular Properties

Compound Name(1S)-4-(3-chloro-4-methylphenyl)imino-1,2-diphenylcyclopent-2-en-1-ol
PubChem CID7741379
Molecular FormulaC24H20ClNO
Molecular Weight373.88 g/mol
Exact Mass373.12
IUPAC Name(1S)-4-(3-chloro-4-methylphenyl)imino-1,2-diphenylcyclopent-2-en-1-ol
SMILESCc1ccc(/N=C2\C=C(c3ccccc3)[C@@](O)(c3ccccc3)C2)cc1Cl
InChIInChI=1S/C24H20ClNO/c1-17-12-13-20(15-23(17)25)26-21-14-22(18-8-4-2-5-9-18)24(27,16-21)19-10-6-3-7-11-19/h2-15,27H,16H2,1H3/b26-21+/t24-/m0/s1
InChIKeyJOHFEEFJMAIIPY-TXNNXSEXSA-N
XLogP6.10
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.88
LogP ≤ 56.10
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 (1S)-4-(3-chloro-4-methylphenyl)imino-1,2-diphenylcyclopent-2-en-1-ol?
The IUPAC name of (1S)-4-(3-chloro-4-methylphenyl)imino-1,2-diphenylcyclopent-2-en-1-ol (CID 7741379) is (1S)-4-(3-chloro-4-methylphenyl)imino-1,2-diphenylcyclopent-2-en-1-ol.
What is the SMILES notation for (1S)-4-(3-chloro-4-methylphenyl)imino-1,2-diphenylcyclopent-2-en-1-ol?
The canonical SMILES for (1S)-4-(3-chloro-4-methylphenyl)imino-1,2-diphenylcyclopent-2-en-1-ol is Cc1ccc(/N=C2\C=C(c3ccccc3)[C@@](O)(c3ccccc3)C2)cc1Cl.
What is the InChIKey of (1S)-4-(3-chloro-4-methylphenyl)imino-1,2-diphenylcyclopent-2-en-1-ol?
The InChIKey is JOHFEEFJMAIIPY-TXNNXSEXSA-N. The full InChI is InChI=1S/C24H20ClNO/c1-17-12-13-20(15-23(17)25)26-21-14-22(18-8-4-2-5-9-18)24(27,16-21)19-10-6-3-7-11-19/h2-15,27H,16H2,1H3/b26-21+/t24-/m0/s1.
What are the key properties of (1S)-4-(3-chloro-4-methylphenyl)imino-1,2-diphenylcyclopent-2-en-1-ol?
(1S)-4-(3-chloro-4-methylphenyl)imino-1,2-diphenylcyclopent-2-en-1-ol has a molecular weight of 373.88 g/mol, XLogP of 6.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-4-(3-chloro-4-methylphenyl)imino-1,2-diphenylcyclopent-2-en-1-ol is sourced from PubChem (CID 7741379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).