14-(5-methoxy-1H-indol-2-yl)tetradecan-1-ol

C23H37NO2 — CID 23073452

IUPAC14-(5-methoxy-1H-indol-2-yl)tetradecan-1-ol
SMILESCOc1ccc2[nH]c(CCCCCCCCCCCCCCO)cc2c1
InChIInChI=1S/C23H37NO2/c1-26-22-15-16-23-20(19-22)18-21(24-23)14-12-10-8-6-4-2-3-5-7-9-11-13-17-25/h15-16,18-19,24-25H,2-14,17H2,1H3
InChIKeyDHSRDEJOGSJADD-UHFFFAOYSA-N
MW359.55 g/mol
LogP6.39
Rot. Bonds15

About 14-(5-methoxy-1H-indol-2-yl)tetradecan-1-ol

14-(5-methoxy-1H-indol-2-yl)tetradecan-1-ol (PubChem CID 23073452) has the molecular formula C23H37NO2 and a molecular weight of 359.55 g/mol. Its IUPAC name is 14-(5-methoxy-1H-indol-2-yl)tetradecan-1-ol.

Molecular Properties

Compound Name14-(5-methoxy-1H-indol-2-yl)tetradecan-1-ol
PubChem CID23073452
Molecular FormulaC23H37NO2
Molecular Weight359.55 g/mol
Exact Mass359.28
IUPAC Name14-(5-methoxy-1H-indol-2-yl)tetradecan-1-ol
SMILESCOc1ccc2[nH]c(CCCCCCCCCCCCCCO)cc2c1
InChIInChI=1S/C23H37NO2/c1-26-22-15-16-23-20(19-22)18-21(24-23)14-12-10-8-6-4-2-3-5-7-9-11-13-17-25/h15-16,18-19,24-25H,2-14,17H2,1H3
InChIKeyDHSRDEJOGSJADD-UHFFFAOYSA-N
XLogP6.39
TPSA45.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.55
LogP ≤ 56.39
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-(5-methoxy-1H-indol-2-yl)ethanamine
CID 11217728
3-(5-methoxy-1H-indol-2-yl)propanoic acid
CID 18987712
(5-methoxy-1H-indol-2-yl)methyl acetate
CID 22766960
methyl 2-amino-3-(5-methoxy-1H-indol-2-yl)propanoate
CID 68805241
(6-methoxy-1H-indol-2-yl)methanol
CID 10845030
3-(hydroxymethyl)-6-methoxy-1H-quinolin-2-one
CID 865120
2-(5-methyl-1H-indol-2-yl)ethanol
CID 83674310
6-methoxy-3-pentyl-2H-isoquinolin-1-one
CID 67872483
5-methoxy-1H-indole-2-thiol
CID 119094198
5-ethoxy-2-[(5-ethoxy-1H-indol-2-yl)methyl]-1H-indole
CID 54196890
3-(5-methoxy-3-methyl-1H-indol-2-yl)propan-1-ol
CID 170857438
2-(5-methoxy-1H-indol-2-yl)propan-1-amine
CID 82609174

Frequently Asked Questions

What is the IUPAC name of 14-(5-methoxy-1H-indol-2-yl)tetradecan-1-ol?
The IUPAC name of 14-(5-methoxy-1H-indol-2-yl)tetradecan-1-ol (CID 23073452) is 14-(5-methoxy-1H-indol-2-yl)tetradecan-1-ol.
What is the SMILES notation for 14-(5-methoxy-1H-indol-2-yl)tetradecan-1-ol?
The canonical SMILES for 14-(5-methoxy-1H-indol-2-yl)tetradecan-1-ol is COc1ccc2[nH]c(CCCCCCCCCCCCCCO)cc2c1.
What is the InChIKey of 14-(5-methoxy-1H-indol-2-yl)tetradecan-1-ol?
The InChIKey is DHSRDEJOGSJADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37NO2/c1-26-22-15-16-23-20(19-22)18-21(24-23)14-12-10-8-6-4-2-3-5-7-9-11-13-17-25/h15-16,18-19,24-25H,2-14,17H2,1H3.
What are the key properties of 14-(5-methoxy-1H-indol-2-yl)tetradecan-1-ol?
14-(5-methoxy-1H-indol-2-yl)tetradecan-1-ol has a molecular weight of 359.55 g/mol, XLogP of 6.39, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(5-methoxy-1H-indol-2-yl)tetradecan-1-ol is sourced from PubChem (CID 23073452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).