2,4-dichloro-6-[(Z)-indol-3-ylidenemethyl]phenol

C15H9Cl2NO — CID 135452445

IUPAC2,4-dichloro-6-[(Z)-indol-3-ylidenemethyl]phenol
SMILESOc1c(Cl)cc(Cl)cc1/C=C1\C=Nc2ccccc21
InChIInChI=1S/C15H9Cl2NO/c16-11-6-9(15(19)13(17)7-11)5-10-8-18-14-4-2-1-3-12(10)14/h1-8,19H/b10-5+
InChIKeyNQHUPKIMJCDOLJ-BJMVGYQFSA-N
MW290.15 g/mol
LogP4.96
Rot. Bonds1

About 2,4-dichloro-6-[(Z)-indol-3-ylidenemethyl]phenol

2,4-dichloro-6-[(Z)-indol-3-ylidenemethyl]phenol (PubChem CID 135452445) has the molecular formula C15H9Cl2NO and a molecular weight of 290.15 g/mol. Its IUPAC name is 2,4-dichloro-6-[(Z)-indol-3-ylidenemethyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[(Z)-indol-3-ylidenemethyl]phenol
PubChem CID135452445
Molecular FormulaC15H9Cl2NO
Molecular Weight290.15 g/mol
Exact Mass289.01
IUPAC Name2,4-dichloro-6-[(Z)-indol-3-ylidenemethyl]phenol
SMILESOc1c(Cl)cc(Cl)cc1/C=C1\C=Nc2ccccc21
InChIInChI=1S/C15H9Cl2NO/c16-11-6-9(15(19)13(17)7-11)5-10-8-18-14-4-2-1-3-12(10)14/h1-8,19H/b10-5+
InChIKeyNQHUPKIMJCDOLJ-BJMVGYQFSA-N
XLogP4.96
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[(Z)-indol-3-ylidenemethyl]phenol?
The IUPAC name of 2,4-dichloro-6-[(Z)-indol-3-ylidenemethyl]phenol (CID 135452445) is 2,4-dichloro-6-[(Z)-indol-3-ylidenemethyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[(Z)-indol-3-ylidenemethyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[(Z)-indol-3-ylidenemethyl]phenol is Oc1c(Cl)cc(Cl)cc1/C=C1\C=Nc2ccccc21.
What is the InChIKey of 2,4-dichloro-6-[(Z)-indol-3-ylidenemethyl]phenol?
The InChIKey is NQHUPKIMJCDOLJ-BJMVGYQFSA-N. The full InChI is InChI=1S/C15H9Cl2NO/c16-11-6-9(15(19)13(17)7-11)5-10-8-18-14-4-2-1-3-12(10)14/h1-8,19H/b10-5+.
What are the key properties of 2,4-dichloro-6-[(Z)-indol-3-ylidenemethyl]phenol?
2,4-dichloro-6-[(Z)-indol-3-ylidenemethyl]phenol has a molecular weight of 290.15 g/mol, XLogP of 4.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[(Z)-indol-3-ylidenemethyl]phenol is sourced from PubChem (CID 135452445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).