1-[(4-chlorophenyl)methyl]-5,6-dimethoxyindole

C17H16ClNO2 — CID 22256781

IUPAC1-[(4-chlorophenyl)methyl]-5,6-dimethoxyindole
SMILESCOc1cc2ccn(Cc3ccc(Cl)cc3)c2cc1OC
InChIInChI=1S/C17H16ClNO2/c1-20-16-9-13-7-8-19(15(13)10-17(16)21-2)11-12-3-5-14(18)6-4-12/h3-10H,11H2,1-2H3
InChIKeyCMZPXQIFKXYYKP-UHFFFAOYSA-N
MW301.77 g/mol
LogP4.36
Rot. Bonds4

About 1-[(4-chlorophenyl)methyl]-5,6-dimethoxyindole

1-[(4-chlorophenyl)methyl]-5,6-dimethoxyindole (PubChem CID 22256781) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-5,6-dimethoxyindole.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-5,6-dimethoxyindole
PubChem CID22256781
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC Name1-[(4-chlorophenyl)methyl]-5,6-dimethoxyindole
SMILESCOc1cc2ccn(Cc3ccc(Cl)cc3)c2cc1OC
InChIInChI=1S/C17H16ClNO2/c1-20-16-9-13-7-8-19(15(13)10-17(16)21-2)11-12-3-5-14(18)6-4-12/h3-10H,11H2,1-2H3
InChIKeyCMZPXQIFKXYYKP-UHFFFAOYSA-N
XLogP4.36
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-1-[(4-chlorophenyl)methyl]-5-methylindole
CID 118121664
5-chloro-1-[(3,4-dimethylphenyl)methyl]indole
CID 116623337
1-[(3-fluoro-4-methoxyphenyl)methyl]indol-6-amine
CID 43308823
5-bromo-1-[(3,4-dimethoxyphenyl)methyl]indole
CID 116619663
4,6-dichloro-1-[(3-fluoro-4-methoxyphenyl)methyl]indole
CID 103428306
6-chloro-1-[(2-methoxy-5-methylphenyl)methyl]indole
CID 116620555
3-(5,6-dimethoxyindol-1-yl)propanenitrile
CID 21216857
3-(6-chloro-5-methoxyindol-1-yl)propan-1-ol
CID 83944491
1-[(5-chloro-2-methoxyphenyl)methyl]-5-fluoroindole
CID 63852001
6-chloro-1-[(4-chlorophenyl)methyl]-5-nitroindole
CID 67964828
1-[(4-chlorophenyl)methyl]indole-5-carbaldehyde
CID 17221163
5-bromo-1-[(3-bromo-4-methoxyphenyl)methyl]indole
CID 116619613

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-5,6-dimethoxyindole?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-5,6-dimethoxyindole (CID 22256781) is 1-[(4-chlorophenyl)methyl]-5,6-dimethoxyindole.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-5,6-dimethoxyindole?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-5,6-dimethoxyindole is COc1cc2ccn(Cc3ccc(Cl)cc3)c2cc1OC.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-5,6-dimethoxyindole?
The InChIKey is CMZPXQIFKXYYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2/c1-20-16-9-13-7-8-19(15(13)10-17(16)21-2)11-12-3-5-14(18)6-4-12/h3-10H,11H2,1-2H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-5,6-dimethoxyindole?
1-[(4-chlorophenyl)methyl]-5,6-dimethoxyindole has a molecular weight of 301.77 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-5,6-dimethoxyindole is sourced from PubChem (CID 22256781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).