(7-bromo-2,4-dimethyl-1H-indol-3-yl)methanol

C11H12BrNO — CID 130050268

IUPAC(7-bromo-2,4-dimethyl-1H-indol-3-yl)methanol
SMILESCc1[nH]c2c(Br)ccc(C)c2c1CO
InChIInChI=1S/C11H12BrNO/c1-6-3-4-9(12)11-10(6)8(5-14)7(2)13-11/h3-4,13-14H,5H2,1-2H3
InChIKeyCBRSPPHDWNFKOH-UHFFFAOYSA-N
MW254.13 g/mol
LogP3.04
Rot. Bonds1

About (7-bromo-2,4-dimethyl-1H-indol-3-yl)methanol

(7-bromo-2,4-dimethyl-1H-indol-3-yl)methanol (PubChem CID 130050268) has the molecular formula C11H12BrNO and a molecular weight of 254.13 g/mol. Its IUPAC name is (7-bromo-2,4-dimethyl-1H-indol-3-yl)methanol.

Molecular Properties

Compound Name(7-bromo-2,4-dimethyl-1H-indol-3-yl)methanol
PubChem CID130050268
Molecular FormulaC11H12BrNO
Molecular Weight254.13 g/mol
Exact Mass253.01
IUPAC Name(7-bromo-2,4-dimethyl-1H-indol-3-yl)methanol
SMILESCc1[nH]c2c(Br)ccc(C)c2c1CO
InChIInChI=1S/C11H12BrNO/c1-6-3-4-9(12)11-10(6)8(5-14)7(2)13-11/h3-4,13-14H,5H2,1-2H3
InChIKeyCBRSPPHDWNFKOH-UHFFFAOYSA-N
XLogP3.04
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-(7-methoxy-2,4-dimethyl-1H-indol-3-yl)propan-1-ol
CID 82496131
3-(2,4,7-trimethyl-1H-indol-3-yl)propan-1-amine
CID 82393603
2-(7-bromo-2-methyl-1H-indol-3-yl)-N-methylethanamine
CID 82501777
N-ethyl-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanamine
CID 82495305
8-bromo-5-fluoro-2,3-dimethyl-1H-quinolin-4-one
CID 107628096
2-(4-amino-2,7-dimethyl-1H-indol-3-yl)ethanol
CID 67987205
7-bromo-4-methoxy-2,3-dimethyl-1H-indole
CID 130049908
4-(7-bromo-2-methyl-1H-indol-3-yl)butan-2-one
CID 82502192
(3-bromo-6-methyl-2-nitrophenyl)methanol
CID 130776681
4-bromo-3-(hydroxymethyl)-2-methylphenol
CID 66643800
7-bromo-3-(4-fluorophenyl)-4-methyl-1H-indole-2-carboxylic acid
CID 10020630
2-[2-(2-bromophenyl)-4,7-dimethyl-1H-indol-3-yl]acetic acid
CID 3448153

Frequently Asked Questions

What is the IUPAC name of (7-bromo-2,4-dimethyl-1H-indol-3-yl)methanol?
The IUPAC name of (7-bromo-2,4-dimethyl-1H-indol-3-yl)methanol (CID 130050268) is (7-bromo-2,4-dimethyl-1H-indol-3-yl)methanol.
What is the SMILES notation for (7-bromo-2,4-dimethyl-1H-indol-3-yl)methanol?
The canonical SMILES for (7-bromo-2,4-dimethyl-1H-indol-3-yl)methanol is Cc1[nH]c2c(Br)ccc(C)c2c1CO.
What is the InChIKey of (7-bromo-2,4-dimethyl-1H-indol-3-yl)methanol?
The InChIKey is CBRSPPHDWNFKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO/c1-6-3-4-9(12)11-10(6)8(5-14)7(2)13-11/h3-4,13-14H,5H2,1-2H3.
What are the key properties of (7-bromo-2,4-dimethyl-1H-indol-3-yl)methanol?
(7-bromo-2,4-dimethyl-1H-indol-3-yl)methanol has a molecular weight of 254.13 g/mol, XLogP of 3.04, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-2,4-dimethyl-1H-indol-3-yl)methanol is sourced from PubChem (CID 130050268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).