(1-benzyl-6-bromoindol-5-yl)methoxyphosphane

C16H15BrNOP — CID 59488780

IUPAC(1-benzyl-6-bromoindol-5-yl)methoxyphosphane
SMILESPOCc1cc2ccn(Cc3ccccc3)c2cc1Br
InChIInChI=1S/C16H15BrNOP/c17-15-9-16-13(8-14(15)11-19-20)6-7-18(16)10-12-4-2-1-3-5-12/h1-9H,10-11,20H2
InChIKeyMAFPXYJKNKPMPR-UHFFFAOYSA-N
MW348.18 g/mol
LogP4.76
Rot. Bonds4

About (1-benzyl-6-bromoindol-5-yl)methoxyphosphane

(1-benzyl-6-bromoindol-5-yl)methoxyphosphane (PubChem CID 59488780) has the molecular formula C16H15BrNOP and a molecular weight of 348.18 g/mol. Its IUPAC name is (1-benzyl-6-bromoindol-5-yl)methoxyphosphane.

Molecular Properties

Compound Name(1-benzyl-6-bromoindol-5-yl)methoxyphosphane
PubChem CID59488780
Molecular FormulaC16H15BrNOP
Molecular Weight348.18 g/mol
Exact Mass347.01
IUPAC Name(1-benzyl-6-bromoindol-5-yl)methoxyphosphane
SMILESPOCc1cc2ccn(Cc3ccccc3)c2cc1Br
InChIInChI=1S/C16H15BrNOP/c17-15-9-16-13(8-14(15)11-19-20)6-7-18(16)10-12-4-2-1-3-5-12/h1-9H,10-11,20H2
InChIKeyMAFPXYJKNKPMPR-UHFFFAOYSA-N
XLogP4.76
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.18
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-benzyl-6-bromoindol-5-yl)methoxyphosphane?
The IUPAC name of (1-benzyl-6-bromoindol-5-yl)methoxyphosphane (CID 59488780) is (1-benzyl-6-bromoindol-5-yl)methoxyphosphane.
What is the SMILES notation for (1-benzyl-6-bromoindol-5-yl)methoxyphosphane?
The canonical SMILES for (1-benzyl-6-bromoindol-5-yl)methoxyphosphane is POCc1cc2ccn(Cc3ccccc3)c2cc1Br.
What is the InChIKey of (1-benzyl-6-bromoindol-5-yl)methoxyphosphane?
The InChIKey is MAFPXYJKNKPMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrNOP/c17-15-9-16-13(8-14(15)11-19-20)6-7-18(16)10-12-4-2-1-3-5-12/h1-9H,10-11,20H2.
What are the key properties of (1-benzyl-6-bromoindol-5-yl)methoxyphosphane?
(1-benzyl-6-bromoindol-5-yl)methoxyphosphane has a molecular weight of 348.18 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-6-bromoindol-5-yl)methoxyphosphane is sourced from PubChem (CID 59488780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).