7-chloro-3-methoxy-1H-indole

C9H8ClNO — CID 119084271

IUPAC7-chloro-3-methoxy-1H-indole
SMILESCOc1c[nH]c2c(Cl)cccc12
InChIInChI=1S/C9H8ClNO/c1-12-8-5-11-9-6(8)3-2-4-7(9)10/h2-5,11H,1H3
InChIKeyUEAUNBOKXFUVFM-UHFFFAOYSA-N
MW181.62 g/mol
LogP2.83
Rot. Bonds1

About 7-chloro-3-methoxy-1H-indole

7-chloro-3-methoxy-1H-indole (PubChem CID 119084271) has the molecular formula C9H8ClNO and a molecular weight of 181.62 g/mol. Its IUPAC name is 7-chloro-3-methoxy-1H-indole.

Molecular Properties

Compound Name7-chloro-3-methoxy-1H-indole
PubChem CID119084271
Molecular FormulaC9H8ClNO
Molecular Weight181.62 g/mol
Exact Mass181.03
IUPAC Name7-chloro-3-methoxy-1H-indole
SMILESCOc1c[nH]c2c(Cl)cccc12
InChIInChI=1S/C9H8ClNO/c1-12-8-5-11-9-6(8)3-2-4-7(9)10/h2-5,11H,1H3
InChIKeyUEAUNBOKXFUVFM-UHFFFAOYSA-N
XLogP2.83
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.62
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(7-chloro-1H-indol-3-yl)-(2-methoxyphenyl)methanone
CID 103474392
3-bromo-7-chloro-1H-indole
CID 2763282
7-chloro-3-[1-(7-chloro-1H-indol-3-yl)ethyl]-1H-indole
CID 102233204
(3-bromo-4-methoxyphenyl)-(7-chloro-1H-indol-3-yl)methanone
CID 103474352
2-chloro-6-methoxybenzenethiol
CID 91874124
1-chloro-9-methoxyphenanthrene
CID 174558891
(2S,5S)-2-[(7-chloro-1H-indol-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 154018566
1-(7-chloro-1H-indol-3-yl)propan-1-amine
CID 76846666
7-chloro-3-(2-methylpentan-3-yl)-1H-indole
CID 106985200
1-(7-chloro-1H-indol-3-yl)propan-1-one
CID 103474389
methyl (2R)-2-acetamido-3-(7-chloro-1H-indol-3-yl)propanoate
CID 100944705
ethane;4-methoxy-2H-isoquinolin-1-one
CID 90873525

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-methoxy-1H-indole?
The IUPAC name of 7-chloro-3-methoxy-1H-indole (CID 119084271) is 7-chloro-3-methoxy-1H-indole.
What is the SMILES notation for 7-chloro-3-methoxy-1H-indole?
The canonical SMILES for 7-chloro-3-methoxy-1H-indole is COc1c[nH]c2c(Cl)cccc12.
What is the InChIKey of 7-chloro-3-methoxy-1H-indole?
The InChIKey is UEAUNBOKXFUVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO/c1-12-8-5-11-9-6(8)3-2-4-7(9)10/h2-5,11H,1H3.
What are the key properties of 7-chloro-3-methoxy-1H-indole?
7-chloro-3-methoxy-1H-indole has a molecular weight of 181.62 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-methoxy-1H-indole is sourced from PubChem (CID 119084271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).