5-[(2-butoxyphenyl)methoxy]-1H-indole

C19H21NO2 — CID 67917034

IUPAC5-[(2-butoxyphenyl)methoxy]-1H-indole
SMILESCCCCOc1ccccc1COc1ccc2[nH]ccc2c1
InChIInChI=1S/C19H21NO2/c1-2-3-12-21-19-7-5-4-6-16(19)14-22-17-8-9-18-15(13-17)10-11-20-18/h4-11,13,20H,2-3,12,14H2,1H3
InChIKeyYFTOVKZYQMQQIN-UHFFFAOYSA-N
MW295.38 g/mol
LogP4.93
Rot. Bonds7

About 5-[(2-butoxyphenyl)methoxy]-1H-indole

5-[(2-butoxyphenyl)methoxy]-1H-indole (PubChem CID 67917034) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 5-[(2-butoxyphenyl)methoxy]-1H-indole.

Molecular Properties

Compound Name5-[(2-butoxyphenyl)methoxy]-1H-indole
PubChem CID67917034
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name5-[(2-butoxyphenyl)methoxy]-1H-indole
SMILESCCCCOc1ccccc1COc1ccc2[nH]ccc2c1
InChIInChI=1S/C19H21NO2/c1-2-3-12-21-19-7-5-4-6-16(19)14-22-17-8-9-18-15(13-17)10-11-20-18/h4-11,13,20H,2-3,12,14H2,1H3
InChIKeyYFTOVKZYQMQQIN-UHFFFAOYSA-N
XLogP4.93
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-heptoxy-1H-indole
CID 80642434
4-(1H-indol-5-yloxymethyl)quinoline
CID 80648654
3-(1H-indol-5-yloxy)propan-1-amine
CID 84662713
2-(1H-indol-5-yloxy)ethanamine
CID 84655544
5-pent-4-ynoxy-1H-indole
CID 112548784
4-(1H-indol-5-yloxymethyl)phenol
CID 80641928
5-(thiophen-2-ylmethoxy)-1H-indole
CID 18797477
1H-indol-5-yl pentanoate
CID 174735386
5-[2-[(2-phenylphenyl)methoxy]phenyl]-1H-indole
CID 141077944
1-ethyl-2-heptoxybenzene
CID 22723794
(2-butoxyphenyl)methyl-ethylazanium
CID 7378012
heptane;1H-indole
CID 162212083

Frequently Asked Questions

What is the IUPAC name of 5-[(2-butoxyphenyl)methoxy]-1H-indole?
The IUPAC name of 5-[(2-butoxyphenyl)methoxy]-1H-indole (CID 67917034) is 5-[(2-butoxyphenyl)methoxy]-1H-indole.
What is the SMILES notation for 5-[(2-butoxyphenyl)methoxy]-1H-indole?
The canonical SMILES for 5-[(2-butoxyphenyl)methoxy]-1H-indole is CCCCOc1ccccc1COc1ccc2[nH]ccc2c1.
What is the InChIKey of 5-[(2-butoxyphenyl)methoxy]-1H-indole?
The InChIKey is YFTOVKZYQMQQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-2-3-12-21-19-7-5-4-6-16(19)14-22-17-8-9-18-15(13-17)10-11-20-18/h4-11,13,20H,2-3,12,14H2,1H3.
What are the key properties of 5-[(2-butoxyphenyl)methoxy]-1H-indole?
5-[(2-butoxyphenyl)methoxy]-1H-indole has a molecular weight of 295.38 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-butoxyphenyl)methoxy]-1H-indole is sourced from PubChem (CID 67917034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).