(7-bromo-1,3-benzodioxol-5-yl)-(1H-indol-5-yl)methanol

C16H12BrNO3 — CID 81437182

IUPAC(7-bromo-1,3-benzodioxol-5-yl)-(1H-indol-5-yl)methanol
SMILESOC(c1cc(Br)c2c(c1)OCO2)c1ccc2[nH]ccc2c1
InChIInChI=1S/C16H12BrNO3/c17-12-6-11(7-14-16(12)21-8-20-14)15(19)10-1-2-13-9(5-10)3-4-18-13/h1-7,15,18-19H,8H2
InChIKeySVLKETGGQHSERT-UHFFFAOYSA-N
MW346.18 g/mol
LogP3.74
Rot. Bonds2

About (7-bromo-1,3-benzodioxol-5-yl)-(1H-indol-5-yl)methanol

(7-bromo-1,3-benzodioxol-5-yl)-(1H-indol-5-yl)methanol (PubChem CID 81437182) has the molecular formula C16H12BrNO3 and a molecular weight of 346.18 g/mol. Its IUPAC name is (7-bromo-1,3-benzodioxol-5-yl)-(1H-indol-5-yl)methanol.

Molecular Properties

Compound Name(7-bromo-1,3-benzodioxol-5-yl)-(1H-indol-5-yl)methanol
PubChem CID81437182
Molecular FormulaC16H12BrNO3
Molecular Weight346.18 g/mol
Exact Mass345.00
IUPAC Name(7-bromo-1,3-benzodioxol-5-yl)-(1H-indol-5-yl)methanol
SMILESOC(c1cc(Br)c2c(c1)OCO2)c1ccc2[nH]ccc2c1
InChIInChI=1S/C16H12BrNO3/c17-12-6-11(7-14-16(12)21-8-20-14)15(19)10-1-2-13-9(5-10)3-4-18-13/h1-7,15,18-19H,8H2
InChIKeySVLKETGGQHSERT-UHFFFAOYSA-N
XLogP3.74
TPSA54.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.18
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (7-bromo-1,3-benzodioxol-5-yl)-(1H-indol-5-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-dihydro-1,4-benzodioxin-6-yl(1H-indol-5-yl)methanol
CID 81437183
(7-bromo-1,3-benzodioxol-5-yl)-(3,5-difluorophenyl)methanol
CID 63894043
(3-bromo-4-methoxyphenyl)-(1H-indol-5-yl)methanol
CID 81444992
1H-indol-5-yl(phenyl)methanol
CID 19042833
(4-fluorophenyl)-(1H-indol-5-yl)methanol
CID 81444818
1-benzofuran-2-yl-(7-bromo-1,3-benzodioxol-5-yl)methanol
CID 114723309
1H-indol-5-yl-(3,4,5-trifluorophenyl)methanol
CID 81444552
(7-bromo-1,3-benzodioxol-5-yl)-(5-bromo-2-fluorophenyl)methanol
CID 79742900
(7-bromo-1,3-benzodioxol-5-yl)-(2,6-difluoro-3-methylphenyl)methanol
CID 82802781
4-[hydroxy(1H-indol-5-yl)methyl]benzonitrile
CID 115480990
3-(7-bromo-1,3-benzodioxol-5-yl)-2-fluoro-3-hydroxypropanoic acid
CID 79366804
(3-fluoro-4-methylphenyl)-(1H-indol-5-yl)methanol
CID 81444351

Frequently Asked Questions

What is the IUPAC name of (7-bromo-1,3-benzodioxol-5-yl)-(1H-indol-5-yl)methanol?
The IUPAC name of (7-bromo-1,3-benzodioxol-5-yl)-(1H-indol-5-yl)methanol (CID 81437182) is (7-bromo-1,3-benzodioxol-5-yl)-(1H-indol-5-yl)methanol.
What is the SMILES notation for (7-bromo-1,3-benzodioxol-5-yl)-(1H-indol-5-yl)methanol?
The canonical SMILES for (7-bromo-1,3-benzodioxol-5-yl)-(1H-indol-5-yl)methanol is OC(c1cc(Br)c2c(c1)OCO2)c1ccc2[nH]ccc2c1.
What is the InChIKey of (7-bromo-1,3-benzodioxol-5-yl)-(1H-indol-5-yl)methanol?
The InChIKey is SVLKETGGQHSERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrNO3/c17-12-6-11(7-14-16(12)21-8-20-14)15(19)10-1-2-13-9(5-10)3-4-18-13/h1-7,15,18-19H,8H2.
What are the key properties of (7-bromo-1,3-benzodioxol-5-yl)-(1H-indol-5-yl)methanol?
(7-bromo-1,3-benzodioxol-5-yl)-(1H-indol-5-yl)methanol has a molecular weight of 346.18 g/mol, XLogP of 3.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-1,3-benzodioxol-5-yl)-(1H-indol-5-yl)methanol is sourced from PubChem (CID 81437182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).