4-methoxy-4-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)pentan-1-ol

C16H25NO2 — CID 103035119

IUPAC4-methoxy-4-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)pentan-1-ol
SMILESCOC(C)(C)CCC(O)c1ccc2c(c1)CCN2C
InChIInChI=1S/C16H25NO2/c1-16(2,19-4)9-7-15(18)13-5-6-14-12(11-13)8-10-17(14)3/h5-6,11,15,18H,7-10H2,1-4H3
InChIKeyINTXJGQVGBKCPW-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.92
Rot. Bonds5

About 4-methoxy-4-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)pentan-1-ol

4-methoxy-4-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)pentan-1-ol (PubChem CID 103035119) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-methoxy-4-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)pentan-1-ol.

Molecular Properties

Compound Name4-methoxy-4-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)pentan-1-ol
PubChem CID103035119
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name4-methoxy-4-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)pentan-1-ol
SMILESCOC(C)(C)CCC(O)c1ccc2c(c1)CCN2C
InChIInChI=1S/C16H25NO2/c1-16(2,19-4)9-7-15(18)13-5-6-14-12(11-13)8-10-17(14)3/h5-6,11,15,18H,7-10H2,1-4H3
InChIKeyINTXJGQVGBKCPW-UHFFFAOYSA-N
XLogP2.92
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

3-amino-1-(1-methyl-2,3-dihydroindol-5-yl)propan-1-ol
CID 79138292
1-(1-methyl-2,3-dihydroindol-5-yl)-2-propan-2-yloxyethanol
CID 79567530
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2,2-dimethylpropanamide
CID 90582117
N-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2,2-dimethylpropanamide
CID 129373617
1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-piperazin-1-ylpropan-1-ol
CID 82074067
2-(2-methoxyphenyl)-1-(1-methyl-2,3-dihydroindol-5-yl)ethanol
CID 63899321
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-3,3-dimethylbutanamide
CID 90582123
butyl 4-hydroxy-4-(1-methyl-2,3-dihydroindol-5-yl)butanoate
CID 62095628
3-hydroxy-2,2-dimethyl-3-(1-methyl-2,3-dihydroindol-5-yl)propanenitrile
CID 79132572
3-hydroxy-2-methyl-3-(1-methyl-2,3-dihydroindol-5-yl)propanenitrile
CID 79132691
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-methylpropanamide
CID 90582111
cyclopentyl-(1-methyl-2,3-dihydroindol-5-yl)methanol
CID 63900130

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)pentan-1-ol?
The IUPAC name of 4-methoxy-4-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)pentan-1-ol (CID 103035119) is 4-methoxy-4-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)pentan-1-ol.
What is the SMILES notation for 4-methoxy-4-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)pentan-1-ol?
The canonical SMILES for 4-methoxy-4-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)pentan-1-ol is COC(C)(C)CCC(O)c1ccc2c(c1)CCN2C.
What is the InChIKey of 4-methoxy-4-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)pentan-1-ol?
The InChIKey is INTXJGQVGBKCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-16(2,19-4)9-7-15(18)13-5-6-14-12(11-13)8-10-17(14)3/h5-6,11,15,18H,7-10H2,1-4H3.
What are the key properties of 4-methoxy-4-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)pentan-1-ol?
4-methoxy-4-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)pentan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)pentan-1-ol is sourced from PubChem (CID 103035119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).