4-chloro-2-(methoxymethyl)-1-propan-2-ylindole

C13H16ClNO — CID 117174049

IUPAC4-chloro-2-(methoxymethyl)-1-propan-2-ylindole
SMILESCOCc1cc2c(Cl)cccc2n1C(C)C
InChIInChI=1S/C13H16ClNO/c1-9(2)15-10(8-16-3)7-11-12(14)5-4-6-13(11)15/h4-7,9H,8H2,1-3H3
InChIKeyNPGKXPDGZZSDDE-UHFFFAOYSA-N
MW237.73 g/mol
LogP4.02
Rot. Bonds3

About 4-chloro-2-(methoxymethyl)-1-propan-2-ylindole

4-chloro-2-(methoxymethyl)-1-propan-2-ylindole (PubChem CID 117174049) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is 4-chloro-2-(methoxymethyl)-1-propan-2-ylindole.

Molecular Properties

Compound Name4-chloro-2-(methoxymethyl)-1-propan-2-ylindole
PubChem CID117174049
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Name4-chloro-2-(methoxymethyl)-1-propan-2-ylindole
SMILESCOCc1cc2c(Cl)cccc2n1C(C)C
InChIInChI=1S/C13H16ClNO/c1-9(2)15-10(8-16-3)7-11-12(14)5-4-6-13(11)15/h4-7,9H,8H2,1-3H3
InChIKeyNPGKXPDGZZSDDE-UHFFFAOYSA-N
XLogP4.02
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chloro-1-propan-2-ylindol-2-yl)propan-1-amine
CID 117120480
3-(4-chloro-1-propan-2-ylindol-2-yl)-2,2-dimethylpropanoic acid
CID 117194534
1-propan-2-yl-2-(propan-2-yloxymethyl)indol-4-ol
CID 117174039
O-[(4-methyl-1-propan-2-ylindol-2-yl)methyl]hydroxylamine
CID 117194362
2-(4-chloro-1-propan-2-ylindol-2-yl)propan-2-amine
CID 117120452
4-bromo-2-(ethoxymethyl)-1-propan-2-ylindole
CID 117174060
[1-propan-2-yl-2-(propan-2-yloxymethyl)indol-4-yl]methanamine
CID 117173654
2-(4-methoxy-1-propan-2-ylindol-2-yl)acetaldehyde
CID 117194619
2-(4-methoxy-1-propan-2-ylindol-2-yl)ethanamine
CID 83918678
4-chloro-2-(ethoxymethyl)-1-methylindole
CID 117173476
2-[(4-methylphenoxy)methyl]-1-propan-2-ylindol-4-amine
CID 117173920
4-[(4-amino-1-propan-2-ylindol-2-yl)methoxy]phenol
CID 117173954

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(methoxymethyl)-1-propan-2-ylindole?
The IUPAC name of 4-chloro-2-(methoxymethyl)-1-propan-2-ylindole (CID 117174049) is 4-chloro-2-(methoxymethyl)-1-propan-2-ylindole.
What is the SMILES notation for 4-chloro-2-(methoxymethyl)-1-propan-2-ylindole?
The canonical SMILES for 4-chloro-2-(methoxymethyl)-1-propan-2-ylindole is COCc1cc2c(Cl)cccc2n1C(C)C.
What is the InChIKey of 4-chloro-2-(methoxymethyl)-1-propan-2-ylindole?
The InChIKey is NPGKXPDGZZSDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO/c1-9(2)15-10(8-16-3)7-11-12(14)5-4-6-13(11)15/h4-7,9H,8H2,1-3H3.
What are the key properties of 4-chloro-2-(methoxymethyl)-1-propan-2-ylindole?
4-chloro-2-(methoxymethyl)-1-propan-2-ylindole has a molecular weight of 237.73 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(methoxymethyl)-1-propan-2-ylindole is sourced from PubChem (CID 117174049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).