[4,5-dichloro-2-[(4-methanehydrazonoylindol-1-yl)methyl]phenyl]methanol

C17H15Cl2N3O — CID 67483057

IUPAC[4,5-dichloro-2-[(4-methanehydrazonoylindol-1-yl)methyl]phenyl]methanol
SMILESNN=Cc1cccc2c1ccn2Cc1cc(Cl)c(Cl)cc1CO
InChIInChI=1S/C17H15Cl2N3O/c18-15-6-12(13(10-23)7-16(15)19)9-22-5-4-14-11(8-21-20)2-1-3-17(14)22/h1-8,23H,9-10,20H2
InChIKeyVWBXNAXANYCQDL-UHFFFAOYSA-N
MW348.23 g/mol
LogP3.78
Rot. Bonds4

About [4,5-dichloro-2-[(4-methanehydrazonoylindol-1-yl)methyl]phenyl]methanol

[4,5-dichloro-2-[(4-methanehydrazonoylindol-1-yl)methyl]phenyl]methanol (PubChem CID 67483057) has the molecular formula C17H15Cl2N3O and a molecular weight of 348.23 g/mol. Its IUPAC name is [4,5-dichloro-2-[(4-methanehydrazonoylindol-1-yl)methyl]phenyl]methanol.

Molecular Properties

Compound Name[4,5-dichloro-2-[(4-methanehydrazonoylindol-1-yl)methyl]phenyl]methanol
PubChem CID67483057
Molecular FormulaC17H15Cl2N3O
Molecular Weight348.23 g/mol
Exact Mass347.06
IUPAC Name[4,5-dichloro-2-[(4-methanehydrazonoylindol-1-yl)methyl]phenyl]methanol
SMILESNN=Cc1cccc2c1ccn2Cc1cc(Cl)c(Cl)cc1CO
InChIInChI=1S/C17H15Cl2N3O/c18-15-6-12(13(10-23)7-16(15)19)9-22-5-4-14-11(8-21-20)2-1-3-17(14)22/h1-8,23H,9-10,20H2
InChIKeyVWBXNAXANYCQDL-UHFFFAOYSA-N
XLogP3.78
TPSA63.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.23
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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 [4,5-dichloro-2-[(4-methanehydrazonoylindol-1-yl)methyl]phenyl]methanol?
The IUPAC name of [4,5-dichloro-2-[(4-methanehydrazonoylindol-1-yl)methyl]phenyl]methanol (CID 67483057) is [4,5-dichloro-2-[(4-methanehydrazonoylindol-1-yl)methyl]phenyl]methanol.
What is the SMILES notation for [4,5-dichloro-2-[(4-methanehydrazonoylindol-1-yl)methyl]phenyl]methanol?
The canonical SMILES for [4,5-dichloro-2-[(4-methanehydrazonoylindol-1-yl)methyl]phenyl]methanol is NN=Cc1cccc2c1ccn2Cc1cc(Cl)c(Cl)cc1CO.
What is the InChIKey of [4,5-dichloro-2-[(4-methanehydrazonoylindol-1-yl)methyl]phenyl]methanol?
The InChIKey is VWBXNAXANYCQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O/c18-15-6-12(13(10-23)7-16(15)19)9-22-5-4-14-11(8-21-20)2-1-3-17(14)22/h1-8,23H,9-10,20H2.
What are the key properties of [4,5-dichloro-2-[(4-methanehydrazonoylindol-1-yl)methyl]phenyl]methanol?
[4,5-dichloro-2-[(4-methanehydrazonoylindol-1-yl)methyl]phenyl]methanol has a molecular weight of 348.23 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4,5-dichloro-2-[(4-methanehydrazonoylindol-1-yl)methyl]phenyl]methanol is sourced from PubChem (CID 67483057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).