1-(1-ethyl-5-methoxyindol-2-yl)-2-methyloct-3-yn-1-ol

C20H27NO2 — CID 135071669

IUPAC1-(1-ethyl-5-methoxyindol-2-yl)-2-methyloct-3-yn-1-ol
SMILESCCCCC#CC(C)C(O)c1cc2cc(OC)ccc2n1CC
InChIInChI=1S/C20H27NO2/c1-5-7-8-9-10-15(3)20(22)19-14-16-13-17(23-4)11-12-18(16)21(19)6-2/h11-15,20,22H,5-8H2,1-4H3
InChIKeyFDRPFWJZCAMGCX-UHFFFAOYSA-N
MW313.44 g/mol
LogP4.53
Rot. Bonds6

About 1-(1-ethyl-5-methoxyindol-2-yl)-2-methyloct-3-yn-1-ol

1-(1-ethyl-5-methoxyindol-2-yl)-2-methyloct-3-yn-1-ol (PubChem CID 135071669) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is 1-(1-ethyl-5-methoxyindol-2-yl)-2-methyloct-3-yn-1-ol.

Molecular Properties

Compound Name1-(1-ethyl-5-methoxyindol-2-yl)-2-methyloct-3-yn-1-ol
PubChem CID135071669
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC Name1-(1-ethyl-5-methoxyindol-2-yl)-2-methyloct-3-yn-1-ol
SMILESCCCCC#CC(C)C(O)c1cc2cc(OC)ccc2n1CC
InChIInChI=1S/C20H27NO2/c1-5-7-8-9-10-15(3)20(22)19-14-16-13-17(23-4)11-12-18(16)21(19)6-2/h11-15,20,22H,5-8H2,1-4H3
InChIKeyFDRPFWJZCAMGCX-UHFFFAOYSA-N
XLogP4.53
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 54.53
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'}

Analyze 1-(1-ethyl-5-methoxyindol-2-yl)-2-methyloct-3-yn-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-(4-methoxyphenyl)hept-2-yn-1-ol
CID 101224445
(1-butyl-5-methoxyindol-2-yl)methanol
CID 166624602
(3S,4S)-3-[(4-methoxyphenyl)methoxy]-2-methyldec-5-yn-4-ol
CID 101412125
1-(4-methoxyphenyl)non-4-yn-2-ol
CID 15536527
2-(3,3-dimethoxyprop-1-en-2-yl)-5-methoxy-1-(methoxymethyl)indole
CID 19808736
2-hydroxy-2-(5-methoxy-1-propan-2-ylindol-2-yl)acetic acid
CID 115072156
N-[5-(1-ethyl-5-methoxyindol-2-yl)-1H-pyrazol-3-yl]-2-phenoxypropanamide
CID 53196011
1-hex-1-ynyl-4-[2-(4-methoxyphenyl)ethynyl]benzene
CID 67827439
1-(2-chloro-1-ethyl-5-methoxyindol-3-yl)ethanol
CID 82268873
4-methoxy-N-[(1R)-1-phenylundec-2-ynyl]aniline
CID 122206072
4-methoxy-N-[(2R)-1,1,1-trifluorooct-3-yn-2-yl]aniline
CID 141484902
1-ethyl-6-methoxy-3-methyl-4-oxoquinoline-2-carboxylic acid
CID 82246138

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-5-methoxyindol-2-yl)-2-methyloct-3-yn-1-ol?
The IUPAC name of 1-(1-ethyl-5-methoxyindol-2-yl)-2-methyloct-3-yn-1-ol (CID 135071669) is 1-(1-ethyl-5-methoxyindol-2-yl)-2-methyloct-3-yn-1-ol.
What is the SMILES notation for 1-(1-ethyl-5-methoxyindol-2-yl)-2-methyloct-3-yn-1-ol?
The canonical SMILES for 1-(1-ethyl-5-methoxyindol-2-yl)-2-methyloct-3-yn-1-ol is CCCCC#CC(C)C(O)c1cc2cc(OC)ccc2n1CC.
What is the InChIKey of 1-(1-ethyl-5-methoxyindol-2-yl)-2-methyloct-3-yn-1-ol?
The InChIKey is FDRPFWJZCAMGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2/c1-5-7-8-9-10-15(3)20(22)19-14-16-13-17(23-4)11-12-18(16)21(19)6-2/h11-15,20,22H,5-8H2,1-4H3.
What are the key properties of 1-(1-ethyl-5-methoxyindol-2-yl)-2-methyloct-3-yn-1-ol?
1-(1-ethyl-5-methoxyindol-2-yl)-2-methyloct-3-yn-1-ol has a molecular weight of 313.44 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-5-methoxyindol-2-yl)-2-methyloct-3-yn-1-ol is sourced from PubChem (CID 135071669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).