1-[1-[2-(4-chlorophenyl)ethyl]-5-hydroxy-2-methylindol-3-yl]ethanone

C19H18ClNO2 — CID 672656

IUPAC1-[1-[2-(4-chlorophenyl)ethyl]-5-hydroxy-2-methylindol-3-yl]ethanone
SMILESCC(=O)c1c(C)n(CCc2ccc(Cl)cc2)c2ccc(O)cc12
InChIInChI=1S/C19H18ClNO2/c1-12-19(13(2)22)17-11-16(23)7-8-18(17)21(12)10-9-14-3-5-15(20)6-4-14/h3-8,11,23H,9-10H2,1-2H3
InChIKeyOQBSIPJVURNDFA-UHFFFAOYSA-N
MW327.81 g/mol
LogP4.75
Rot. Bonds4

About 1-[1-[2-(4-chlorophenyl)ethyl]-5-hydroxy-2-methylindol-3-yl]ethanone

1-[1-[2-(4-chlorophenyl)ethyl]-5-hydroxy-2-methylindol-3-yl]ethanone (PubChem CID 672656) has the molecular formula C19H18ClNO2 and a molecular weight of 327.81 g/mol. Its IUPAC name is 1-[1-[2-(4-chlorophenyl)ethyl]-5-hydroxy-2-methylindol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[2-(4-chlorophenyl)ethyl]-5-hydroxy-2-methylindol-3-yl]ethanone
PubChem CID672656
Molecular FormulaC19H18ClNO2
Molecular Weight327.81 g/mol
Exact Mass327.10
IUPAC Name1-[1-[2-(4-chlorophenyl)ethyl]-5-hydroxy-2-methylindol-3-yl]ethanone
SMILESCC(=O)c1c(C)n(CCc2ccc(Cl)cc2)c2ccc(O)cc12
InChIInChI=1S/C19H18ClNO2/c1-12-19(13(2)22)17-11-16(23)7-8-18(17)21(12)10-9-14-3-5-15(20)6-4-14/h3-8,11,23H,9-10H2,1-2H3
InChIKeyOQBSIPJVURNDFA-UHFFFAOYSA-N
XLogP4.75
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Indomethacin
CID 3715
1-(4-Chlorobenzoyl)-5-hydroxy-2-methyl-1H-indole-3-acetic acid
CID 159665
1-(5-Hydroxy-2-methyl-1-phenyl-1H-indol-3-yl)ethanone
CID 781247
1-(4-Chlorobenzyl)-5-methoxy-2-methylindole-3-acetic acid
CID 4059895
5-hydroxy-1H-benzo[g]indole-3-carboxylate, 11p
CID 44157557
Ethyl 1-benzyl-5-hydroxy-2-methyl-1H-indole-3-carboxylate
CID 628089
1-(1-(3-Chlorophenyl)-5-hydroxy-2-methyl-1H-indol-3-yl)ethanone
CID 708055
1-[5-Hydroxy-2-methyl-1-(4-methylphenyl)-1H-indol-3-yl]ethanone
CID 537520
1-[1-(4-chlorophenyl)-5-hydroxy-2-methyl-1H-indol-3-yl]ethanone
CID 878953
5-hydroxy-1H-indole-3-carboxylate, 10c
CID 44157480
5-hydroxy-1H-indole-3-carboxylate, 10n
CID 44157724
1,2,3,4-Tetrahydro pyrido[3,4-b]indole 22
CID 6539937

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(4-chlorophenyl)ethyl]-5-hydroxy-2-methylindol-3-yl]ethanone?
The IUPAC name of 1-[1-[2-(4-chlorophenyl)ethyl]-5-hydroxy-2-methylindol-3-yl]ethanone (CID 672656) is 1-[1-[2-(4-chlorophenyl)ethyl]-5-hydroxy-2-methylindol-3-yl]ethanone.
What is the SMILES notation for 1-[1-[2-(4-chlorophenyl)ethyl]-5-hydroxy-2-methylindol-3-yl]ethanone?
The canonical SMILES for 1-[1-[2-(4-chlorophenyl)ethyl]-5-hydroxy-2-methylindol-3-yl]ethanone is CC(=O)c1c(C)n(CCc2ccc(Cl)cc2)c2ccc(O)cc12.
What is the InChIKey of 1-[1-[2-(4-chlorophenyl)ethyl]-5-hydroxy-2-methylindol-3-yl]ethanone?
The InChIKey is OQBSIPJVURNDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO2/c1-12-19(13(2)22)17-11-16(23)7-8-18(17)21(12)10-9-14-3-5-15(20)6-4-14/h3-8,11,23H,9-10H2,1-2H3.
What are the key properties of 1-[1-[2-(4-chlorophenyl)ethyl]-5-hydroxy-2-methylindol-3-yl]ethanone?
1-[1-[2-(4-chlorophenyl)ethyl]-5-hydroxy-2-methylindol-3-yl]ethanone has a molecular weight of 327.81 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(4-chlorophenyl)ethyl]-5-hydroxy-2-methylindol-3-yl]ethanone is sourced from PubChem (CID 672656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).