3-[1-methoxy-2-(4-methylphenyl)propan-2-yl]-1H-indole

C19H21NO — CID 123342747

IUPAC3-[1-methoxy-2-(4-methylphenyl)propan-2-yl]-1H-indole
SMILESCOCC(C)(c1ccc(C)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C19H21NO/c1-14-8-10-15(11-9-14)19(2,13-21-3)17-12-20-18-7-5-4-6-16(17)18/h4-12,20H,13H2,1-3H3
InChIKeySQMHWKRIZZETBS-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.43
Rot. Bonds4

About 3-[1-methoxy-2-(4-methylphenyl)propan-2-yl]-1H-indole

3-[1-methoxy-2-(4-methylphenyl)propan-2-yl]-1H-indole (PubChem CID 123342747) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-[1-methoxy-2-(4-methylphenyl)propan-2-yl]-1H-indole.

Molecular Properties

Compound Name3-[1-methoxy-2-(4-methylphenyl)propan-2-yl]-1H-indole
PubChem CID123342747
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name3-[1-methoxy-2-(4-methylphenyl)propan-2-yl]-1H-indole
SMILESCOCC(C)(c1ccc(C)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C19H21NO/c1-14-8-10-15(11-9-14)19(2,13-21-3)17-12-20-18-7-5-4-6-16(17)18/h4-12,20H,13H2,1-3H3
InChIKeySQMHWKRIZZETBS-UHFFFAOYSA-N
XLogP4.43
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[1-(1H-indol-3-yl)-1-(4-methylphenyl)ethyl]-1H-indole
CID 72793438
2-(1H-indol-3-yl)-2-phenylpropan-1-amine
CID 102100966
3-(1-nitro-2-phenylpropan-2-yl)-1H-indole
CID 102227073
2-(1H-indol-3-yl)propan-2-amine
CID 18668060
N-[2-(1H-indol-3-yl)-2-methylpropyl]-2-(4-methylphenyl)acetamide
CID 113084102
dimethyl 2-ethyl-2-(1H-indol-3-yl)propanedioate
CID 12548172
3-[1,1-bis(1H-indol-3-yl)butyl]-1H-indole
CID 20847832
2-fluoro-2-(1H-indol-3-yl)propan-1-amine
CID 83853895
2-(1H-indol-3-yl)-2-(5-methyl-1H-indol-3-yl)undecan-4-one
CID 101372934
3-[1-(1H-indol-3-yl)-1-(3-methoxyphenyl)ethyl]-1H-indole
CID 155816956
3-[2,4-bis(1H-indol-3-yl)-4-(4-methoxyphenyl)butan-2-yl]-1H-indole
CID 25008232
3-[2-(4-methylphenyl)pentan-2-yl]-1H-indol-7-amine
CID 142928005

Frequently Asked Questions

What is the IUPAC name of 3-[1-methoxy-2-(4-methylphenyl)propan-2-yl]-1H-indole?
The IUPAC name of 3-[1-methoxy-2-(4-methylphenyl)propan-2-yl]-1H-indole (CID 123342747) is 3-[1-methoxy-2-(4-methylphenyl)propan-2-yl]-1H-indole.
What is the SMILES notation for 3-[1-methoxy-2-(4-methylphenyl)propan-2-yl]-1H-indole?
The canonical SMILES for 3-[1-methoxy-2-(4-methylphenyl)propan-2-yl]-1H-indole is COCC(C)(c1ccc(C)cc1)c1c[nH]c2ccccc12.
What is the InChIKey of 3-[1-methoxy-2-(4-methylphenyl)propan-2-yl]-1H-indole?
The InChIKey is SQMHWKRIZZETBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-14-8-10-15(11-9-14)19(2,13-21-3)17-12-20-18-7-5-4-6-16(17)18/h4-12,20H,13H2,1-3H3.
What are the key properties of 3-[1-methoxy-2-(4-methylphenyl)propan-2-yl]-1H-indole?
3-[1-methoxy-2-(4-methylphenyl)propan-2-yl]-1H-indole has a molecular weight of 279.38 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-methoxy-2-(4-methylphenyl)propan-2-yl]-1H-indole is sourced from PubChem (CID 123342747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).