(2-methyl-1-propylindol-3-yl)methanol

C13H17NO — CID 91556176

IUPAC(2-methyl-1-propylindol-3-yl)methanol
SMILESCCCn1c(C)c(CO)c2ccccc21
InChIInChI=1S/C13H17NO/c1-3-8-14-10(2)12(9-15)11-6-4-5-7-13(11)14/h4-7,15H,3,8-9H2,1-2H3
InChIKeyDCUCBGPMTVNKPI-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.85
Rot. Bonds3

About (2-methyl-1-propylindol-3-yl)methanol

(2-methyl-1-propylindol-3-yl)methanol (PubChem CID 91556176) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is (2-methyl-1-propylindol-3-yl)methanol.

Molecular Properties

Compound Name(2-methyl-1-propylindol-3-yl)methanol
PubChem CID91556176
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name(2-methyl-1-propylindol-3-yl)methanol
SMILESCCCn1c(C)c(CO)c2ccccc21
InChIInChI=1S/C13H17NO/c1-3-8-14-10(2)12(9-15)11-6-4-5-7-13(11)14/h4-7,15H,3,8-9H2,1-2H3
InChIKeyDCUCBGPMTVNKPI-UHFFFAOYSA-N
XLogP2.85
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

(2-chloro-1-ethylindol-3-yl)methanol
CID 82268356
ethyl (2-methyl-1-propylindol-3-yl) carbonate
CID 91188926
(4-methylnaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone
CID 45267819
2-(2-methyl-1-prop-2-enylindol-3-yl)ethanol
CID 50923194
4-hydroxy-1,3-dipropylquinolin-2-one
CID 54703043
2-[3-(hydroxymethyl)-1-methylindol-2-yl]ethanol
CID 12666442
3-[(1-ethyl-2-methylindol-3-yl)methyl]-1-propylpiperidin-4-ol
CID 110537891
3-[3-[(dimethylazaniumyl)methyl]-2-methylindol-1-yl]propanoate
CID 7425476
(7-methylnaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone
CID 11473309
[2-methyl-7-[[(1S)-1-phenylethyl]amino]-1-propylpyrrolo[2,3-c]pyridin-3-yl]methanol
CID 67422702
3-[1-(2-methoxyethyl)-2-methylindol-3-yl]propan-1-amine
CID 170868097
(2-methyl-1-undecylindol-3-yl)-phenylmethanone
CID 70525759

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1-propylindol-3-yl)methanol?
The IUPAC name of (2-methyl-1-propylindol-3-yl)methanol (CID 91556176) is (2-methyl-1-propylindol-3-yl)methanol.
What is the SMILES notation for (2-methyl-1-propylindol-3-yl)methanol?
The canonical SMILES for (2-methyl-1-propylindol-3-yl)methanol is CCCn1c(C)c(CO)c2ccccc21.
What is the InChIKey of (2-methyl-1-propylindol-3-yl)methanol?
The InChIKey is DCUCBGPMTVNKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-3-8-14-10(2)12(9-15)11-6-4-5-7-13(11)14/h4-7,15H,3,8-9H2,1-2H3.
What are the key properties of (2-methyl-1-propylindol-3-yl)methanol?
(2-methyl-1-propylindol-3-yl)methanol has a molecular weight of 203.29 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1-propylindol-3-yl)methanol is sourced from PubChem (CID 91556176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).