1-(7-hydroxy-2,5-dimethyl-1H-indol-3-yl)ethanone

C12H13NO2 — CID 105455127

IUPAC1-(7-hydroxy-2,5-dimethyl-1H-indol-3-yl)ethanone
SMILESCC(=O)c1c(C)[nH]c2c(O)cc(C)cc12
InChIInChI=1S/C12H13NO2/c1-6-4-9-11(8(3)14)7(2)13-12(9)10(15)5-6/h4-5,13,15H,1-3H3
InChIKeySECKIHBBFJEAFZ-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.69
Rot. Bonds1

About 1-(7-hydroxy-2,5-dimethyl-1H-indol-3-yl)ethanone

1-(7-hydroxy-2,5-dimethyl-1H-indol-3-yl)ethanone (PubChem CID 105455127) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-(7-hydroxy-2,5-dimethyl-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-(7-hydroxy-2,5-dimethyl-1H-indol-3-yl)ethanone
PubChem CID105455127
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name1-(7-hydroxy-2,5-dimethyl-1H-indol-3-yl)ethanone
SMILESCC(=O)c1c(C)[nH]c2c(O)cc(C)cc12
InChIInChI=1S/C12H13NO2/c1-6-4-9-11(8(3)14)7(2)13-12(9)10(15)5-6/h4-5,13,15H,1-3H3
InChIKeySECKIHBBFJEAFZ-UHFFFAOYSA-N
XLogP2.69
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-methoxy-2,5-dimethyl-1H-indol-3-yl)ethanone
CID 82493293
1-(2-hydroxy-4,6-dimethylphenyl)ethanone
CID 139057763
1-(2,6-dimethyl-1H-indol-3-yl)ethanone
CID 51342127
1-(6-chloro-2,7-dimethyl-1H-indol-3-yl)ethanone
CID 82494396
1-(2-methyl-1H-benzo[g]indol-3-yl)ethanone
CID 105480486
6-hydroxy-8-methyl-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one
CID 105424090
1-(2,4,6-trimethylphenyl)ethanone;hydrochloride
CID 131862336
2-[(7-hydroxy-2-methyl-1H-indole-3-carbonyl)amino]acetic acid
CID 110835945
5,7-difluoro-2-methyl-1H-indole-3-carboxylic acid
CID 65335196
3-acetyl-2-methyl-1H-indole-6-carboxylic acid
CID 105470655
1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone
CID 604823
5,7-dimethyl-3-(2,2,2-trifluoroacetyl)-1H-indole-2-carboxylic acid
CID 84643469

Frequently Asked Questions

What is the IUPAC name of 1-(7-hydroxy-2,5-dimethyl-1H-indol-3-yl)ethanone?
The IUPAC name of 1-(7-hydroxy-2,5-dimethyl-1H-indol-3-yl)ethanone (CID 105455127) is 1-(7-hydroxy-2,5-dimethyl-1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-(7-hydroxy-2,5-dimethyl-1H-indol-3-yl)ethanone?
The canonical SMILES for 1-(7-hydroxy-2,5-dimethyl-1H-indol-3-yl)ethanone is CC(=O)c1c(C)[nH]c2c(O)cc(C)cc12.
What is the InChIKey of 1-(7-hydroxy-2,5-dimethyl-1H-indol-3-yl)ethanone?
The InChIKey is SECKIHBBFJEAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-6-4-9-11(8(3)14)7(2)13-12(9)10(15)5-6/h4-5,13,15H,1-3H3.
What are the key properties of 1-(7-hydroxy-2,5-dimethyl-1H-indol-3-yl)ethanone?
1-(7-hydroxy-2,5-dimethyl-1H-indol-3-yl)ethanone has a molecular weight of 203.24 g/mol, XLogP of 2.69, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-hydroxy-2,5-dimethyl-1H-indol-3-yl)ethanone is sourced from PubChem (CID 105455127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).