(3-bromo-5-methoxy-1H-indol-2-yl)methanol

C10H10BrNO2 — CID 115047680

IUPAC(3-bromo-5-methoxy-1H-indol-2-yl)methanol
SMILESCOc1ccc2[nH]c(CO)c(Br)c2c1
InChIInChI=1S/C10H10BrNO2/c1-14-6-2-3-8-7(4-6)10(11)9(5-13)12-8/h2-4,12-13H,5H2,1H3
InChIKeyOJSWJSGXDUGWPR-UHFFFAOYSA-N
MW256.10 g/mol
LogP2.43
Rot. Bonds2

About (3-bromo-5-methoxy-1H-indol-2-yl)methanol

(3-bromo-5-methoxy-1H-indol-2-yl)methanol (PubChem CID 115047680) has the molecular formula C10H10BrNO2 and a molecular weight of 256.10 g/mol. Its IUPAC name is (3-bromo-5-methoxy-1H-indol-2-yl)methanol.

Molecular Properties

Compound Name(3-bromo-5-methoxy-1H-indol-2-yl)methanol
PubChem CID115047680
Molecular FormulaC10H10BrNO2
Molecular Weight256.10 g/mol
Exact Mass254.99
IUPAC Name(3-bromo-5-methoxy-1H-indol-2-yl)methanol
SMILESCOc1ccc2[nH]c(CO)c(Br)c2c1
InChIInChI=1S/C10H10BrNO2/c1-14-6-2-3-8-7(4-6)10(11)9(5-13)12-8/h2-4,12-13H,5H2,1H3
InChIKeyOJSWJSGXDUGWPR-UHFFFAOYSA-N
XLogP2.43
TPSA45.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-5-methoxy-1H-indol-2-yl)ethanamine
CID 84641076
2-(hydroxymethyl)-5-methoxy-1H-indole-3-carbaldehyde
CID 118108331
[2-(hydroxymethyl)-5-methoxy-1H-indol-3-yl] acetate
CID 70622669
3-(5-methoxy-3-methyl-1H-indol-2-yl)propan-1-ol
CID 170857438
6-methoxy-9H-carbazol-3-ol
CID 142959347
3-fluoro-6-methoxy-9H-carbazole
CID 171714917
2-[5-methoxy-2-(trifluoromethyl)-1H-indol-3-yl]ethanol
CID 84637571
2-ethyl-5-methoxy-1H-indole-3-carbonitrile
CID 84669470
3-(5-methoxy-3-methyl-1H-indol-2-yl)-2-methylpropanoic acid
CID 84632755
5-methoxy-2-methyl-1H-indole-3-carboxylate
CID 6919949
4-(aminomethyl)-6-methoxy-1H-quinolin-2-one
CID 82506632
3-bromo-5-methoxy-2-piperidin-3-yl-1H-indole
CID 84645185

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-methoxy-1H-indol-2-yl)methanol?
The IUPAC name of (3-bromo-5-methoxy-1H-indol-2-yl)methanol (CID 115047680) is (3-bromo-5-methoxy-1H-indol-2-yl)methanol.
What is the SMILES notation for (3-bromo-5-methoxy-1H-indol-2-yl)methanol?
The canonical SMILES for (3-bromo-5-methoxy-1H-indol-2-yl)methanol is COc1ccc2[nH]c(CO)c(Br)c2c1.
What is the InChIKey of (3-bromo-5-methoxy-1H-indol-2-yl)methanol?
The InChIKey is OJSWJSGXDUGWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO2/c1-14-6-2-3-8-7(4-6)10(11)9(5-13)12-8/h2-4,12-13H,5H2,1H3.
What are the key properties of (3-bromo-5-methoxy-1H-indol-2-yl)methanol?
(3-bromo-5-methoxy-1H-indol-2-yl)methanol has a molecular weight of 256.10 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-methoxy-1H-indol-2-yl)methanol is sourced from PubChem (CID 115047680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).