2-(1-methylindol-3-yl)-1,1-bis(4-methylphenyl)ethanol

C25H25NO — CID 165375490

IUPAC2-(1-methylindol-3-yl)-1,1-bis(4-methylphenyl)ethanol
SMILESCc1ccc(C(O)(Cc2cn(C)c3ccccc23)c2ccc(C)cc2)cc1
InChIInChI=1S/C25H25NO/c1-18-8-12-21(13-9-18)25(27,22-14-10-19(2)11-15-22)16-20-17-26(3)24-7-5-4-6-23(20)24/h4-15,17,27H,16H2,1-3H3
InChIKeyHMPJHWHFKVTHPY-UHFFFAOYSA-N
MW355.48 g/mol
LogP5.27
Rot. Bonds4

About 2-(1-methylindol-3-yl)-1,1-bis(4-methylphenyl)ethanol

2-(1-methylindol-3-yl)-1,1-bis(4-methylphenyl)ethanol (PubChem CID 165375490) has the molecular formula C25H25NO and a molecular weight of 355.48 g/mol. Its IUPAC name is 2-(1-methylindol-3-yl)-1,1-bis(4-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(1-methylindol-3-yl)-1,1-bis(4-methylphenyl)ethanol
PubChem CID165375490
Molecular FormulaC25H25NO
Molecular Weight355.48 g/mol
Exact Mass355.19
IUPAC Name2-(1-methylindol-3-yl)-1,1-bis(4-methylphenyl)ethanol
SMILESCc1ccc(C(O)(Cc2cn(C)c3ccccc23)c2ccc(C)cc2)cc1
InChIInChI=1S/C25H25NO/c1-18-8-12-21(13-9-18)25(27,22-14-10-19(2)11-15-22)16-20-17-26(3)24-7-5-4-6-23(20)24/h4-15,17,27H,16H2,1-3H3
InChIKeyHMPJHWHFKVTHPY-UHFFFAOYSA-N
XLogP5.27
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.48
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-methylindol-3-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 4523425
1-methyl-3-(4-methylphenyl)indole
CID 58931542
3-[(2-ethylphenyl)methyl]-1-methylindole
CID 162400454
3-ethyl-N-[(1-methylindol-3-yl)methyl]pentan-3-amine
CID 107235802
3-(methoxymethyl)-1-methylindole
CID 18711466
3-(2-bromoethyl)-1-methylindole
CID 13153306
3-decyl-1-methylindole
CID 10802084
1-methyl-N-(1-methylindol-3-yl)-N-(4-methylphenyl)indol-3-amine
CID 155247618
2,2-dimethyl-3-[methyl-[(1-methylindol-3-yl)methyl]amino]propan-1-ol
CID 115135394
2,4-dimethyl-N-[(1-methylindol-3-yl)methyl]aniline
CID 107234529
2-(1-methylindol-3-yl)-N-propan-2-ylacetamide
CID 13010552
2-(aminomethyl)-3-(1-methylindol-3-yl)propan-1-ol
CID 83977213

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindol-3-yl)-1,1-bis(4-methylphenyl)ethanol?
The IUPAC name of 2-(1-methylindol-3-yl)-1,1-bis(4-methylphenyl)ethanol (CID 165375490) is 2-(1-methylindol-3-yl)-1,1-bis(4-methylphenyl)ethanol.
What is the SMILES notation for 2-(1-methylindol-3-yl)-1,1-bis(4-methylphenyl)ethanol?
The canonical SMILES for 2-(1-methylindol-3-yl)-1,1-bis(4-methylphenyl)ethanol is Cc1ccc(C(O)(Cc2cn(C)c3ccccc23)c2ccc(C)cc2)cc1.
What is the InChIKey of 2-(1-methylindol-3-yl)-1,1-bis(4-methylphenyl)ethanol?
The InChIKey is HMPJHWHFKVTHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO/c1-18-8-12-21(13-9-18)25(27,22-14-10-19(2)11-15-22)16-20-17-26(3)24-7-5-4-6-23(20)24/h4-15,17,27H,16H2,1-3H3.
What are the key properties of 2-(1-methylindol-3-yl)-1,1-bis(4-methylphenyl)ethanol?
2-(1-methylindol-3-yl)-1,1-bis(4-methylphenyl)ethanol has a molecular weight of 355.48 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindol-3-yl)-1,1-bis(4-methylphenyl)ethanol is sourced from PubChem (CID 165375490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).