4-chloro-5-methoxy-1-methyl-2,3-dihydroindole

C10H12ClNO — CID 59465689

IUPAC4-chloro-5-methoxy-1-methyl-2,3-dihydroindole
SMILESCOc1ccc2c(c1Cl)CCN2C
InChIInChI=1S/C10H12ClNO/c1-12-6-5-7-8(12)3-4-9(13-2)10(7)11/h3-4H,5-6H2,1-2H3
InChIKeyUWGMPVLEQJFWOR-UHFFFAOYSA-N
MW197.66 g/mol
LogP2.34
Rot. Bonds1

About 4-chloro-5-methoxy-1-methyl-2,3-dihydroindole

4-chloro-5-methoxy-1-methyl-2,3-dihydroindole (PubChem CID 59465689) has the molecular formula C10H12ClNO and a molecular weight of 197.66 g/mol. Its IUPAC name is 4-chloro-5-methoxy-1-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name4-chloro-5-methoxy-1-methyl-2,3-dihydroindole
PubChem CID59465689
Molecular FormulaC10H12ClNO
Molecular Weight197.66 g/mol
Exact Mass197.06
IUPAC Name4-chloro-5-methoxy-1-methyl-2,3-dihydroindole
SMILESCOc1ccc2c(c1Cl)CCN2C
InChIInChI=1S/C10H12ClNO/c1-12-6-5-7-8(12)3-4-9(13-2)10(7)11/h3-4H,5-6H2,1-2H3
InChIKeyUWGMPVLEQJFWOR-UHFFFAOYSA-N
XLogP2.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-(aminomethyl)-6-chloro-7-methoxy-1-methyl-3,5-dihydro-2H-1-benzazepin-4-ol
CID 82625661
5-chloro-4-fluoro-1-methyl-2,3-dihydroindole
CID 59466334
2-(4-methoxy-1-methyl-2,3-dihydroindol-5-yl)ethanamine
CID 84674503
4-methoxy-1-methyl-5-(piperazin-1-ylmethyl)-2,3-dihydroindole
CID 117408497
3-(4-methoxy-1-methyl-2,3-dihydroindol-5-yl)-1-methylpyrazol-5-amine
CID 117399598
8-chloro-7-methoxy-2-pentyl-3,4-dihydro-1H-isoquinoline
CID 174381587
4-(methoxymethoxy)-1-methyl-2,3-dihydroindole
CID 146317984
ethyl 2-(4-methoxy-1-methyl-2,3-dihydroindol-5-yl)-2-oxoacetate
CID 117412342
5-(4-methoxy-1-methyl-2,3-dihydroindol-5-yl)-1H-pyrazol-3-amine
CID 117362780
4-chloro-5-methoxy-2,3-dihydro-1H-inden-1-amine
CID 55272709
5-chloro-6-methoxy-1,2,3,4-tetrahydroquinoline
CID 84667978
5-bromo-4-fluoro-1-methyl-2,3-dihydroindole
CID 139398741

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methoxy-1-methyl-2,3-dihydroindole?
The IUPAC name of 4-chloro-5-methoxy-1-methyl-2,3-dihydroindole (CID 59465689) is 4-chloro-5-methoxy-1-methyl-2,3-dihydroindole.
What is the SMILES notation for 4-chloro-5-methoxy-1-methyl-2,3-dihydroindole?
The canonical SMILES for 4-chloro-5-methoxy-1-methyl-2,3-dihydroindole is COc1ccc2c(c1Cl)CCN2C.
What is the InChIKey of 4-chloro-5-methoxy-1-methyl-2,3-dihydroindole?
The InChIKey is UWGMPVLEQJFWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c1-12-6-5-7-8(12)3-4-9(13-2)10(7)11/h3-4H,5-6H2,1-2H3.
What are the key properties of 4-chloro-5-methoxy-1-methyl-2,3-dihydroindole?
4-chloro-5-methoxy-1-methyl-2,3-dihydroindole has a molecular weight of 197.66 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methoxy-1-methyl-2,3-dihydroindole is sourced from PubChem (CID 59465689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).