(3-bromo-7-methoxy-1-methylindol-2-yl)methanol

C11H12BrNO2 — CID 115050313

IUPAC(3-bromo-7-methoxy-1-methylindol-2-yl)methanol
SMILESCOc1cccc2c(Br)c(CO)n(C)c12
InChIInChI=1S/C11H12BrNO2/c1-13-8(6-14)10(12)7-4-3-5-9(15-2)11(7)13/h3-5,14H,6H2,1-2H3
InChIKeyVUZUILGGGPZISP-UHFFFAOYSA-N
MW270.13 g/mol
LogP2.44
Rot. Bonds2

About (3-bromo-7-methoxy-1-methylindol-2-yl)methanol

(3-bromo-7-methoxy-1-methylindol-2-yl)methanol (PubChem CID 115050313) has the molecular formula C11H12BrNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is (3-bromo-7-methoxy-1-methylindol-2-yl)methanol.

Molecular Properties

Compound Name(3-bromo-7-methoxy-1-methylindol-2-yl)methanol
PubChem CID115050313
Molecular FormulaC11H12BrNO2
Molecular Weight270.13 g/mol
Exact Mass269.01
IUPAC Name(3-bromo-7-methoxy-1-methylindol-2-yl)methanol
SMILESCOc1cccc2c(Br)c(CO)n(C)c12
InChIInChI=1S/C11H12BrNO2/c1-13-8(6-14)10(12)7-4-3-5-9(15-2)11(7)13/h3-5,14H,6H2,1-2H3
InChIKeyVUZUILGGGPZISP-UHFFFAOYSA-N
XLogP2.44
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-3-methoxyphenyl)methanol
CID 54103130
3-bromo-7-methoxy-1-methyl-2-piperidin-4-ylindole
CID 84646062
(3-cyclopropyl-7-methoxy-1-methylindol-2-yl)methanamine
CID 83918424
1-(3-chloro-7-methoxy-1-methylindol-2-yl)ethanone
CID 115042358
3-(7-methoxy-1,2-dimethylindol-3-yl)propan-1-amine
CID 82495855
7-methoxy-1,3-dimethylindole-2-carbaldehyde
CID 82491728
3-bromo-7-methoxy-2-methylindazole
CID 84728148
3-(8-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)propanoic acid
CID 117263418
(E)-3-(2-chloro-7-methoxy-1-methylindol-3-yl)-2-methylprop-2-enoic acid
CID 82269385
1-(7-methoxy-1,2-dimethylindol-3-yl)propan-2-amine
CID 82495856
(2-(111C)methoxyphenyl)methanol
CID 59897789
8-methoxy-9-methylpyrido[3,4-b]indol-1-amine
CID 115036068

Frequently Asked Questions

What is the IUPAC name of (3-bromo-7-methoxy-1-methylindol-2-yl)methanol?
The IUPAC name of (3-bromo-7-methoxy-1-methylindol-2-yl)methanol (CID 115050313) is (3-bromo-7-methoxy-1-methylindol-2-yl)methanol.
What is the SMILES notation for (3-bromo-7-methoxy-1-methylindol-2-yl)methanol?
The canonical SMILES for (3-bromo-7-methoxy-1-methylindol-2-yl)methanol is COc1cccc2c(Br)c(CO)n(C)c12.
What is the InChIKey of (3-bromo-7-methoxy-1-methylindol-2-yl)methanol?
The InChIKey is VUZUILGGGPZISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2/c1-13-8(6-14)10(12)7-4-3-5-9(15-2)11(7)13/h3-5,14H,6H2,1-2H3.
What are the key properties of (3-bromo-7-methoxy-1-methylindol-2-yl)methanol?
(3-bromo-7-methoxy-1-methylindol-2-yl)methanol has a molecular weight of 270.13 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-7-methoxy-1-methylindol-2-yl)methanol is sourced from PubChem (CID 115050313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).