2-(2,3-dihydro-1H-indol-2-yl)heptan-2-ol

C15H23NO — CID 80558775

IUPAC2-(2,3-dihydro-1H-indol-2-yl)heptan-2-ol
SMILESCCCCCC(C)(O)C1Cc2ccccc2N1
InChIInChI=1S/C15H23NO/c1-3-4-7-10-15(2,17)14-11-12-8-5-6-9-13(12)16-14/h5-6,8-9,14,16-17H,3-4,7,10-11H2,1-2H3
InChIKeyFMVAHFPNANYTJP-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.35
Rot. Bonds5

About 2-(2,3-dihydro-1H-indol-2-yl)heptan-2-ol

2-(2,3-dihydro-1H-indol-2-yl)heptan-2-ol (PubChem CID 80558775) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-indol-2-yl)heptan-2-ol.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-indol-2-yl)heptan-2-ol
PubChem CID80558775
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name2-(2,3-dihydro-1H-indol-2-yl)heptan-2-ol
SMILESCCCCCC(C)(O)C1Cc2ccccc2N1
InChIInChI=1S/C15H23NO/c1-3-4-7-10-15(2,17)14-11-12-8-5-6-9-13(12)16-14/h5-6,8-9,14,16-17H,3-4,7,10-11H2,1-2H3
InChIKeyFMVAHFPNANYTJP-UHFFFAOYSA-N
XLogP3.35
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2,3-dihydro-1H-indol-2-yl)propan-2-ol
CID 14668660
2-(2,3-dihydro-1H-indol-2-yl)-3-methylbutan-2-ol
CID 65042828
2-(2,3-dihydro-1H-indol-2-yl)-4-(2-methoxyethylamino)butan-2-ol
CID 66001292
1,1-dihydroxypentyl (2R)-2,3-dihydro-1H-indole-2-carboxylate
CID 18637669
2-nonyl-2,3-dihydro-1H-indole
CID 65041926
1-(2,3-dihydro-1H-indol-2-yl)-1-(4-fluorophenyl)ethanol
CID 65042584
N-(2,3-dihydro-1H-indol-2-ylmethyl)octan-1-amine
CID 115568741
4-(tert-butylamino)-2-(1,2,3,4-tetrahydroquinolin-2-yl)butan-2-ol
CID 66001867
3-(1,2,3,4-tetrahydroquinolin-2-yl)hexan-3-ol
CID 114079972
2-hexyl-3-methyl-1,2,3,4-tetrahydroquinoline
CID 106778414
(2S)-N-pentyl-2,3-dihydro-1H-indole-2-carboxamide
CID 61148939
3-butyl-2-phenyl-1,2,3,4-tetrahydroquinoline
CID 141481871

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-indol-2-yl)heptan-2-ol?
The IUPAC name of 2-(2,3-dihydro-1H-indol-2-yl)heptan-2-ol (CID 80558775) is 2-(2,3-dihydro-1H-indol-2-yl)heptan-2-ol.
What is the SMILES notation for 2-(2,3-dihydro-1H-indol-2-yl)heptan-2-ol?
The canonical SMILES for 2-(2,3-dihydro-1H-indol-2-yl)heptan-2-ol is CCCCCC(C)(O)C1Cc2ccccc2N1.
What is the InChIKey of 2-(2,3-dihydro-1H-indol-2-yl)heptan-2-ol?
The InChIKey is FMVAHFPNANYTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-4-7-10-15(2,17)14-11-12-8-5-6-9-13(12)16-14/h5-6,8-9,14,16-17H,3-4,7,10-11H2,1-2H3.
What are the key properties of 2-(2,3-dihydro-1H-indol-2-yl)heptan-2-ol?
2-(2,3-dihydro-1H-indol-2-yl)heptan-2-ol has a molecular weight of 233.35 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-indol-2-yl)heptan-2-ol is sourced from PubChem (CID 80558775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).