3-[1-(3-methoxypropyl)-3-methylindol-6-yl]prop-2-yn-1-ol

C16H19NO2 — CID 69165821

IUPAC3-[1-(3-methoxypropyl)-3-methylindol-6-yl]prop-2-yn-1-ol
SMILESCOCCCn1cc(C)c2ccc(C#CCO)cc21
InChIInChI=1S/C16H19NO2/c1-13-12-17(8-4-10-19-2)16-11-14(5-3-9-18)6-7-15(13)16/h6-7,11-12,18H,4,8-10H2,1-2H3
InChIKeyJYSNCBCHFDJFMQ-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.33
Rot. Bonds4

About 3-[1-(3-methoxypropyl)-3-methylindol-6-yl]prop-2-yn-1-ol

3-[1-(3-methoxypropyl)-3-methylindol-6-yl]prop-2-yn-1-ol (PubChem CID 69165821) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 3-[1-(3-methoxypropyl)-3-methylindol-6-yl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[1-(3-methoxypropyl)-3-methylindol-6-yl]prop-2-yn-1-ol
PubChem CID69165821
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name3-[1-(3-methoxypropyl)-3-methylindol-6-yl]prop-2-yn-1-ol
SMILESCOCCCn1cc(C)c2ccc(C#CCO)cc21
InChIInChI=1S/C16H19NO2/c1-13-12-17(8-4-10-19-2)16-11-14(5-3-9-18)6-7-15(13)16/h6-7,11-12,18H,4,8-10H2,1-2H3
InChIKeyJYSNCBCHFDJFMQ-UHFFFAOYSA-N
XLogP2.33
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methoxy-3-methylphenyl)prop-2-yn-1-ol
CID 60799682
1-butyl-3-methylindol-6-ol
CID 174461708
3-[3-(methoxymethoxy)-4-methylphenyl]prop-2-yn-1-ol
CID 11469808
6-chloro-1-(3-methoxypropyl)indole-3-carbaldehyde
CID 59494814
6-bromo-1-(3-methoxypropyl)indole-3-carbonitrile
CID 68652418
4-[4-(3-methoxypropoxy)-3-methylphenyl]but-3-yn-1-ol
CID 55163667
3-[3-[2-(3-methoxypropoxy)ethoxymethyl]phenyl]prop-2-yn-1-ol
CID 103179506
2-(6-methoxy-3-methylindol-1-yl)ethanamine
CID 82491960
3-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]prop-2-yn-1-ol
CID 63214707
3-(3-methyl-4-nonoxyphenyl)prop-2-yn-1-ol
CID 63418820
5-(3-hydroxyprop-1-ynyl)-2-methoxy-N-(3-methoxypropyl)benzenesulfonamide
CID 60846325
4-(3-hydroxyprop-1-ynyl)benzene-1,2-diol
CID 169484709

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-methoxypropyl)-3-methylindol-6-yl]prop-2-yn-1-ol?
The IUPAC name of 3-[1-(3-methoxypropyl)-3-methylindol-6-yl]prop-2-yn-1-ol (CID 69165821) is 3-[1-(3-methoxypropyl)-3-methylindol-6-yl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[1-(3-methoxypropyl)-3-methylindol-6-yl]prop-2-yn-1-ol?
The canonical SMILES for 3-[1-(3-methoxypropyl)-3-methylindol-6-yl]prop-2-yn-1-ol is COCCCn1cc(C)c2ccc(C#CCO)cc21.
What is the InChIKey of 3-[1-(3-methoxypropyl)-3-methylindol-6-yl]prop-2-yn-1-ol?
The InChIKey is JYSNCBCHFDJFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-13-12-17(8-4-10-19-2)16-11-14(5-3-9-18)6-7-15(13)16/h6-7,11-12,18H,4,8-10H2,1-2H3.
What are the key properties of 3-[1-(3-methoxypropyl)-3-methylindol-6-yl]prop-2-yn-1-ol?
3-[1-(3-methoxypropyl)-3-methylindol-6-yl]prop-2-yn-1-ol has a molecular weight of 257.33 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-methoxypropyl)-3-methylindol-6-yl]prop-2-yn-1-ol is sourced from PubChem (CID 69165821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).