(4-bromo-6-phenoxy-1H-indol-2-yl)methanol

C15H12BrNO2 — CID 135358038

IUPAC(4-bromo-6-phenoxy-1H-indol-2-yl)methanol
SMILESOCc1cc2c(Br)cc(Oc3ccccc3)cc2[nH]1
InChIInChI=1S/C15H12BrNO2/c16-14-7-12(19-11-4-2-1-3-5-11)8-15-13(14)6-10(9-18)17-15/h1-8,17-18H,9H2
InChIKeyPFXRHXGCGIMLTE-UHFFFAOYSA-N
MW318.17 g/mol
LogP4.22
Rot. Bonds3

About (4-bromo-6-phenoxy-1H-indol-2-yl)methanol

(4-bromo-6-phenoxy-1H-indol-2-yl)methanol (PubChem CID 135358038) has the molecular formula C15H12BrNO2 and a molecular weight of 318.17 g/mol. Its IUPAC name is (4-bromo-6-phenoxy-1H-indol-2-yl)methanol.

Molecular Properties

Compound Name(4-bromo-6-phenoxy-1H-indol-2-yl)methanol
PubChem CID135358038
Molecular FormulaC15H12BrNO2
Molecular Weight318.17 g/mol
Exact Mass317.01
IUPAC Name(4-bromo-6-phenoxy-1H-indol-2-yl)methanol
SMILESOCc1cc2c(Br)cc(Oc3ccccc3)cc2[nH]1
InChIInChI=1S/C15H12BrNO2/c16-14-7-12(19-11-4-2-1-3-5-11)8-15-13(14)6-10(9-18)17-15/h1-8,17-18H,9H2
InChIKeyPFXRHXGCGIMLTE-UHFFFAOYSA-N
XLogP4.22
TPSA45.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-6-phenoxy-1H-indol-2-yl)methanol?
The IUPAC name of (4-bromo-6-phenoxy-1H-indol-2-yl)methanol (CID 135358038) is (4-bromo-6-phenoxy-1H-indol-2-yl)methanol.
What is the SMILES notation for (4-bromo-6-phenoxy-1H-indol-2-yl)methanol?
The canonical SMILES for (4-bromo-6-phenoxy-1H-indol-2-yl)methanol is OCc1cc2c(Br)cc(Oc3ccccc3)cc2[nH]1.
What is the InChIKey of (4-bromo-6-phenoxy-1H-indol-2-yl)methanol?
The InChIKey is PFXRHXGCGIMLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO2/c16-14-7-12(19-11-4-2-1-3-5-11)8-15-13(14)6-10(9-18)17-15/h1-8,17-18H,9H2.
What are the key properties of (4-bromo-6-phenoxy-1H-indol-2-yl)methanol?
(4-bromo-6-phenoxy-1H-indol-2-yl)methanol has a molecular weight of 318.17 g/mol, XLogP of 4.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-6-phenoxy-1H-indol-2-yl)methanol is sourced from PubChem (CID 135358038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).