1-(4-methoxy-1-methyl-2,3-dihydroindol-3-yl)ethanol

C12H17NO2 — CID 117200379

IUPAC1-(4-methoxy-1-methyl-2,3-dihydroindol-3-yl)ethanol
SMILESCOc1cccc2c1C(C(C)O)CN2C
InChIInChI=1S/C12H17NO2/c1-8(14)9-7-13(2)10-5-4-6-11(15-3)12(9)10/h4-6,8-9,14H,7H2,1-3H3
InChIKeyPDUDRHFNXWBEBT-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.61
Rot. Bonds2

About 1-(4-methoxy-1-methyl-2,3-dihydroindol-3-yl)ethanol

1-(4-methoxy-1-methyl-2,3-dihydroindol-3-yl)ethanol (PubChem CID 117200379) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 1-(4-methoxy-1-methyl-2,3-dihydroindol-3-yl)ethanol.

Molecular Properties

Compound Name1-(4-methoxy-1-methyl-2,3-dihydroindol-3-yl)ethanol
PubChem CID117200379
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name1-(4-methoxy-1-methyl-2,3-dihydroindol-3-yl)ethanol
SMILESCOc1cccc2c1C(C(C)O)CN2C
InChIInChI=1S/C12H17NO2/c1-8(14)9-7-13(2)10-5-4-6-11(15-3)12(9)10/h4-6,8-9,14H,7H2,1-3H3
InChIKeyPDUDRHFNXWBEBT-UHFFFAOYSA-N
XLogP1.61
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-methoxy-1-methyl-2,3-dihydroindol-3-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-1-methyl-3-prop-1-en-2-yl-2,3-dihydroindole
CID 162418568
1-(1-chloroethyl)-9-methoxy-3-methyl-1,2-dihydrobenzo[e]indol-5-ol
CID 129076557
8-methoxy-4-methyl-2-propan-2-yl-2,3-dihydro-1H-quinoxaline
CID 84623745
(1R)-1-[2-methoxy-6-(4-propan-2-ylpiperidin-1-yl)phenyl]ethanol
CID 103498594
3-(2-hydroxypropyl)-1-methyl-2,3-dihydroindol-4-ol
CID 117200353
1-(4-chloro-1-methyl-2,3-dihydroindol-3-yl)-N-methylethanamine
CID 117199954
(1R)-1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-6-methoxyphenyl]ethanol
CID 113389249
4-[2-[(1R)-1-hydroxyethyl]-3-methoxyphenyl]-1-methyl-1,4-diazepan-2-one
CID 102889530
5-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol
CID 122504635
ethane;1-methyl-3-propan-2-yl-2,3-dihydroindole
CID 177010741
2-(8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-ol
CID 105476138
(2,6-dimethoxyphenyl)-[4-(3-methylbutyl)piperazin-1-yl]methanone
CID 113074998

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-1-methyl-2,3-dihydroindol-3-yl)ethanol?
The IUPAC name of 1-(4-methoxy-1-methyl-2,3-dihydroindol-3-yl)ethanol (CID 117200379) is 1-(4-methoxy-1-methyl-2,3-dihydroindol-3-yl)ethanol.
What is the SMILES notation for 1-(4-methoxy-1-methyl-2,3-dihydroindol-3-yl)ethanol?
The canonical SMILES for 1-(4-methoxy-1-methyl-2,3-dihydroindol-3-yl)ethanol is COc1cccc2c1C(C(C)O)CN2C.
What is the InChIKey of 1-(4-methoxy-1-methyl-2,3-dihydroindol-3-yl)ethanol?
The InChIKey is PDUDRHFNXWBEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-8(14)9-7-13(2)10-5-4-6-11(15-3)12(9)10/h4-6,8-9,14H,7H2,1-3H3.
What are the key properties of 1-(4-methoxy-1-methyl-2,3-dihydroindol-3-yl)ethanol?
1-(4-methoxy-1-methyl-2,3-dihydroindol-3-yl)ethanol has a molecular weight of 207.27 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-1-methyl-2,3-dihydroindol-3-yl)ethanol is sourced from PubChem (CID 117200379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).