[1-[(4-chlorophenyl)methyl]-2-methylindol-5-yl]methyl acetate

C19H18ClNO2 — CID 67984684

IUPAC[1-[(4-chlorophenyl)methyl]-2-methylindol-5-yl]methyl acetate
SMILESCC(=O)OCc1ccc2c(c1)cc(C)n2Cc1ccc(Cl)cc1
InChIInChI=1S/C19H18ClNO2/c1-13-9-17-10-16(12-23-14(2)22)5-8-19(17)21(13)11-15-3-6-18(20)7-4-15/h3-10H,11-12H2,1-2H3
InChIKeyGNTKLEVZEPSZCS-UHFFFAOYSA-N
MW327.81 g/mol
LogP4.71
Rot. Bonds4

About [1-[(4-chlorophenyl)methyl]-2-methylindol-5-yl]methyl acetate

[1-[(4-chlorophenyl)methyl]-2-methylindol-5-yl]methyl acetate (PubChem CID 67984684) has the molecular formula C19H18ClNO2 and a molecular weight of 327.81 g/mol. Its IUPAC name is [1-[(4-chlorophenyl)methyl]-2-methylindol-5-yl]methyl acetate.

Molecular Properties

Compound Name[1-[(4-chlorophenyl)methyl]-2-methylindol-5-yl]methyl acetate
PubChem CID67984684
Molecular FormulaC19H18ClNO2
Molecular Weight327.81 g/mol
Exact Mass327.10
IUPAC Name[1-[(4-chlorophenyl)methyl]-2-methylindol-5-yl]methyl acetate
SMILESCC(=O)OCc1ccc2c(c1)cc(C)n2Cc1ccc(Cl)cc1
InChIInChI=1S/C19H18ClNO2/c1-13-9-17-10-16(12-23-14(2)22)5-8-19(17)21(13)11-15-3-6-18(20)7-4-15/h3-10H,11-12H2,1-2H3
InChIKeyGNTKLEVZEPSZCS-UHFFFAOYSA-N
XLogP4.71
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chlorophenyl)methyl]-N,2-dimethylindol-5-amine
CID 141347657
1-[(3,4-dichlorophenyl)methyl]-2-methylindol-5-ol
CID 174670552
1-[(4-chlorophenyl)methyl]-2-methyl-4-oxoquinoline-6-carboxylic acid
CID 126478672
4-[(5-methoxy-2-methylindol-1-yl)methyl]aniline
CID 19779449
2-methyl-1-[(4-phenylphenyl)methyl]indol-5-ol
CID 139659856
(4-fluoro-3-hydroxyphenyl)methyl acetate
CID 130354561
1-[(4-chlorophenyl)methyl]-2,5-dimethylpyrrole-3-carboxylic acid
CID 29037309
5-fluoro-1-[(4-methoxyphenyl)methyl]-2-methylindole
CID 174227358
3-[4-[[4-[(5-methoxy-2-methylindol-1-yl)methyl]phenyl]methoxy]phenyl]propanoic acid
CID 23159997
[3-(2-chloroacetyl)-1-(4-chlorophenyl)indol-6-yl]methyl acetate
CID 118085957
2-(5-chloro-2-methylindol-1-yl)-1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethanol
CID 123845193
1-benzyl-6-chloro-2-methylindole
CID 121404424

Frequently Asked Questions

What is the IUPAC name of [1-[(4-chlorophenyl)methyl]-2-methylindol-5-yl]methyl acetate?
The IUPAC name of [1-[(4-chlorophenyl)methyl]-2-methylindol-5-yl]methyl acetate (CID 67984684) is [1-[(4-chlorophenyl)methyl]-2-methylindol-5-yl]methyl acetate.
What is the SMILES notation for [1-[(4-chlorophenyl)methyl]-2-methylindol-5-yl]methyl acetate?
The canonical SMILES for [1-[(4-chlorophenyl)methyl]-2-methylindol-5-yl]methyl acetate is CC(=O)OCc1ccc2c(c1)cc(C)n2Cc1ccc(Cl)cc1.
What is the InChIKey of [1-[(4-chlorophenyl)methyl]-2-methylindol-5-yl]methyl acetate?
The InChIKey is GNTKLEVZEPSZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO2/c1-13-9-17-10-16(12-23-14(2)22)5-8-19(17)21(13)11-15-3-6-18(20)7-4-15/h3-10H,11-12H2,1-2H3.
What are the key properties of [1-[(4-chlorophenyl)methyl]-2-methylindol-5-yl]methyl acetate?
[1-[(4-chlorophenyl)methyl]-2-methylindol-5-yl]methyl acetate has a molecular weight of 327.81 g/mol, XLogP of 4.71, 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]-2-methylindol-5-yl]methyl acetate is sourced from PubChem (CID 67984684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).