3-[chloro(methoxy)methyl]-1H-indole

C10H10ClNO — CID 67187607

IUPAC3-[chloro(methoxy)methyl]-1H-indole
SMILESCOC(Cl)c1c[nH]c2ccccc12
InChIInChI=1S/C10H10ClNO/c1-13-10(11)8-6-12-9-5-3-2-4-7(8)9/h2-6,10,12H,1H3
InChIKeyMJDMNAOKPBZHLF-UHFFFAOYSA-N
MW195.65 g/mol
LogP3.05
Rot. Bonds2

About 3-[chloro(methoxy)methyl]-1H-indole

3-[chloro(methoxy)methyl]-1H-indole (PubChem CID 67187607) has the molecular formula C10H10ClNO and a molecular weight of 195.65 g/mol. Its IUPAC name is 3-[chloro(methoxy)methyl]-1H-indole.

Molecular Properties

Compound Name3-[chloro(methoxy)methyl]-1H-indole
PubChem CID67187607
Molecular FormulaC10H10ClNO
Molecular Weight195.65 g/mol
Exact Mass195.05
IUPAC Name3-[chloro(methoxy)methyl]-1H-indole
SMILESCOC(Cl)c1c[nH]c2ccccc12
InChIInChI=1S/C10H10ClNO/c1-13-10(11)8-6-12-9-5-3-2-4-7(8)9/h2-6,10,12H,1H3
InChIKeyMJDMNAOKPBZHLF-UHFFFAOYSA-N
XLogP3.05
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-chloro-1-(1H-indol-3-yl)-N-methylmethanamine
CID 116962085
3-propan-2-yl-1H-indole
CID 12534824
3-[methoxy-(2-methylphenyl)methyl]-1H-indole
CID 70574632
methyl 2-(1H-indol-3-yl)-2-methoxyacetate
CID 13133991
[(1R)-1-(1H-indol-3-yl)-2-methoxy-2-oxoethyl]azanium
CID 2374175
3-[bis(4-methoxyphenyl)methyl]-1H-indole
CID 4102319
O-methyl 2-(1H-indol-3-yl)propanethioate
CID 175999824
(2S,3S)-3-(1H-indol-3-yl)butan-2-ol
CID 130705083
3-[1H-indol-3-yl-(4-methoxynaphthalen-1-yl)methyl]-1H-indole
CID 4200527
(1R)-1-(1H-indol-3-yl)-2-methylbutan-1-amine
CID 171197987
(1R)-1-(1H-indol-3-yl)-2,2-dimethylpropan-1-amine
CID 131535143
1-(1H-indol-3-yl)-N',N'-dimethylmethanediamine
CID 116909089

Frequently Asked Questions

What is the IUPAC name of 3-[chloro(methoxy)methyl]-1H-indole?
The IUPAC name of 3-[chloro(methoxy)methyl]-1H-indole (CID 67187607) is 3-[chloro(methoxy)methyl]-1H-indole.
What is the SMILES notation for 3-[chloro(methoxy)methyl]-1H-indole?
The canonical SMILES for 3-[chloro(methoxy)methyl]-1H-indole is COC(Cl)c1c[nH]c2ccccc12.
What is the InChIKey of 3-[chloro(methoxy)methyl]-1H-indole?
The InChIKey is MJDMNAOKPBZHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO/c1-13-10(11)8-6-12-9-5-3-2-4-7(8)9/h2-6,10,12H,1H3.
What are the key properties of 3-[chloro(methoxy)methyl]-1H-indole?
3-[chloro(methoxy)methyl]-1H-indole has a molecular weight of 195.65 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[chloro(methoxy)methyl]-1H-indole is sourced from PubChem (CID 67187607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).