2-(4-methoxy-1-methylindol-6-yl)propan-2-ol

C13H17NO2 — CID 117312750

IUPAC2-(4-methoxy-1-methylindol-6-yl)propan-2-ol
SMILESCOc1cc(C(C)(C)O)cc2c1ccn2C
InChIInChI=1S/C13H17NO2/c1-13(2,15)9-7-11-10(5-6-14(11)3)12(8-9)16-4/h5-8,15H,1-4H3
InChIKeyNRTVZNFRBUCQOP-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.41
Rot. Bonds2

About 2-(4-methoxy-1-methylindol-6-yl)propan-2-ol

2-(4-methoxy-1-methylindol-6-yl)propan-2-ol (PubChem CID 117312750) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-(4-methoxy-1-methylindol-6-yl)propan-2-ol.

Molecular Properties

Compound Name2-(4-methoxy-1-methylindol-6-yl)propan-2-ol
PubChem CID117312750
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-(4-methoxy-1-methylindol-6-yl)propan-2-ol
SMILESCOc1cc(C(C)(C)O)cc2c1ccn2C
InChIInChI=1S/C13H17NO2/c1-13(2,15)9-7-11-10(5-6-14(11)3)12(8-9)16-4/h5-8,15H,1-4H3
InChIKeyNRTVZNFRBUCQOP-UHFFFAOYSA-N
XLogP2.41
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethoxy-5-methylphenyl)propan-2-ol
CID 117300512
(4-methoxy-1-methylindol-6-yl)methanamine
CID 82603456
2-[3-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]propan-2-ol
CID 117404583
2-(3-methoxy-4-propan-2-ylphenyl)propan-2-ol
CID 58551068
5-(2-hydroxypropan-2-yl)-2,3-dimethoxybenzoic acid
CID 117352931
2-(2,3,5,6-tetramethoxyphenyl)propan-2-ol
CID 165348100
4-(2-hydroxypropan-2-yl)-2-methoxy-6-methylphenol
CID 117286306
2-(3,4-dimethoxy-5-nitrophenyl)propan-2-ol
CID 116987734
3-(4-methoxy-1-methylindol-6-yl)-1H-pyrazole-5-carboxylic acid
CID 117430716
1-bromo-1-(3,4,5-trimethoxyphenyl)ethanol
CID 175796351
ethane;2-(3-methoxy-4-methylphenyl)propan-2-ol
CID 145081687
2,2,4,4-tetramethyl-3-(3,4,5-trimethoxyphenyl)pentan-3-ol
CID 23270185

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-1-methylindol-6-yl)propan-2-ol?
The IUPAC name of 2-(4-methoxy-1-methylindol-6-yl)propan-2-ol (CID 117312750) is 2-(4-methoxy-1-methylindol-6-yl)propan-2-ol.
What is the SMILES notation for 2-(4-methoxy-1-methylindol-6-yl)propan-2-ol?
The canonical SMILES for 2-(4-methoxy-1-methylindol-6-yl)propan-2-ol is COc1cc(C(C)(C)O)cc2c1ccn2C.
What is the InChIKey of 2-(4-methoxy-1-methylindol-6-yl)propan-2-ol?
The InChIKey is NRTVZNFRBUCQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-13(2,15)9-7-11-10(5-6-14(11)3)12(8-9)16-4/h5-8,15H,1-4H3.
What are the key properties of 2-(4-methoxy-1-methylindol-6-yl)propan-2-ol?
2-(4-methoxy-1-methylindol-6-yl)propan-2-ol has a molecular weight of 219.28 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-1-methylindol-6-yl)propan-2-ol is sourced from PubChem (CID 117312750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).