(1,4-dimethylindol-2-yl)methanol

C11H13NO — CID 117120333

IUPAC(1,4-dimethylindol-2-yl)methanol
SMILESCc1cccc2c1cc(CO)n2C
InChIInChI=1S/C11H13NO/c1-8-4-3-5-11-10(8)6-9(7-13)12(11)2/h3-6,13H,7H2,1-2H3
InChIKeyLBGZCUPSTSWXEG-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.98
Rot. Bonds1

About (1,4-dimethylindol-2-yl)methanol

(1,4-dimethylindol-2-yl)methanol (PubChem CID 117120333) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is (1,4-dimethylindol-2-yl)methanol.

Molecular Properties

Compound Name(1,4-dimethylindol-2-yl)methanol
PubChem CID117120333
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name(1,4-dimethylindol-2-yl)methanol
SMILESCc1cccc2c1cc(CO)n2C
InChIInChI=1S/C11H13NO/c1-8-4-3-5-11-10(8)6-9(7-13)12(11)2/h3-6,13H,7H2,1-2H3
InChIKeyLBGZCUPSTSWXEG-UHFFFAOYSA-N
XLogP1.98
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,4-dimethylindol-2-yl)acetaldehyde
CID 117194342
ethane;1,2,4-trimethylindole
CID 91318944
1-[2-(1,4-dimethylindol-2-yl)ethyl]cyclopropan-1-amine
CID 105486000
2-[(4-chlorophenoxy)methyl]-1,4-dimethylindole
CID 117184865
(4,5-dichloro-1-methylindol-2-yl)methanol
CID 166762100
2-tert-butyl-1,4-dimethylindole
CID 121356408
1,4-dimethyl-2-propan-2-ylindole;oxalic acid
CID 19389733
[3-(1,4-dimethylindol-2-yl)-1H-pyrazol-5-yl]methanamine
CID 82387823
1,5-dimethylquinolin-2-one
CID 19387899
2-methyl-1-(4-methyl-1-propan-2-ylindol-2-yl)propan-2-ol
CID 117120348
5-(1,4-dimethylindol-2-yl)-1H-pyrazol-3-amine
CID 115107860
(4-chloro-1-methylindol-2-yl)methanethiol
CID 117173500

Frequently Asked Questions

What is the IUPAC name of (1,4-dimethylindol-2-yl)methanol?
The IUPAC name of (1,4-dimethylindol-2-yl)methanol (CID 117120333) is (1,4-dimethylindol-2-yl)methanol.
What is the SMILES notation for (1,4-dimethylindol-2-yl)methanol?
The canonical SMILES for (1,4-dimethylindol-2-yl)methanol is Cc1cccc2c1cc(CO)n2C.
What is the InChIKey of (1,4-dimethylindol-2-yl)methanol?
The InChIKey is LBGZCUPSTSWXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-8-4-3-5-11-10(8)6-9(7-13)12(11)2/h3-6,13H,7H2,1-2H3.
What are the key properties of (1,4-dimethylindol-2-yl)methanol?
(1,4-dimethylindol-2-yl)methanol has a molecular weight of 175.23 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,4-dimethylindol-2-yl)methanol is sourced from PubChem (CID 117120333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).