3-[(2-methoxyphenoxy)methyl]-1-propan-2-ylindole

C19H21NO2 — CID 117171875

IUPAC3-[(2-methoxyphenoxy)methyl]-1-propan-2-ylindole
SMILESCOc1ccccc1OCc1cn(C(C)C)c2ccccc12
InChIInChI=1S/C19H21NO2/c1-14(2)20-12-15(16-8-4-5-9-17(16)20)13-22-19-11-7-6-10-18(19)21-3/h4-12,14H,13H2,1-3H3
InChIKeyZJPWXPBCIPSUIL-UHFFFAOYSA-N
MW295.38 g/mol
LogP4.81
Rot. Bonds5

About 3-[(2-methoxyphenoxy)methyl]-1-propan-2-ylindole

3-[(2-methoxyphenoxy)methyl]-1-propan-2-ylindole (PubChem CID 117171875) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 3-[(2-methoxyphenoxy)methyl]-1-propan-2-ylindole.

Molecular Properties

Compound Name3-[(2-methoxyphenoxy)methyl]-1-propan-2-ylindole
PubChem CID117171875
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name3-[(2-methoxyphenoxy)methyl]-1-propan-2-ylindole
SMILESCOc1ccccc1OCc1cn(C(C)C)c2ccccc12
InChIInChI=1S/C19H21NO2/c1-14(2)20-12-15(16-8-4-5-9-17(16)20)13-22-19-11-7-6-10-18(19)21-3/h4-12,14H,13H2,1-3H3
InChIKeyZJPWXPBCIPSUIL-UHFFFAOYSA-N
XLogP4.81
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(6-fluoro-1-propan-2-ylindol-3-yl)methoxy]phenol
CID 117178967
2-[(5-methyl-1-propan-2-ylindol-3-yl)methoxy]phenol
CID 117185196
3-[(2-methylphenoxy)methyl]-1-propan-2-ylindol-6-amine
CID 117178937
methyl 2-(1-propan-2-ylindol-3-yl)acetate
CID 139389299
2-(1-propan-2-ylindol-3-yl)ethanamine
CID 5115445
6-fluoro-3-[(3-methoxyphenoxy)methyl]-1-propan-2-ylindole
CID 117179005
3-[(2-chlorophenoxy)methyl]-1-methylindole
CID 117171277
1-ethyl-3-[(2-methoxyphenoxy)methyl]-6-methylindole
CID 117185744
2-[(7-chloro-1-propan-2-ylindol-3-yl)methoxy]phenol
CID 117182430
[3-[(2-methoxyphenoxy)methyl]-1-methylindol-5-yl]methanamine
CID 117174896
3-[(2-methylphenoxy)methyl]-1-propan-2-ylindol-4-amine
CID 117171842
2-(4-methoxyphenyl)-N-[(1-propan-2-ylindol-3-yl)methyl]ethanamine
CID 124798455

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyphenoxy)methyl]-1-propan-2-ylindole?
The IUPAC name of 3-[(2-methoxyphenoxy)methyl]-1-propan-2-ylindole (CID 117171875) is 3-[(2-methoxyphenoxy)methyl]-1-propan-2-ylindole.
What is the SMILES notation for 3-[(2-methoxyphenoxy)methyl]-1-propan-2-ylindole?
The canonical SMILES for 3-[(2-methoxyphenoxy)methyl]-1-propan-2-ylindole is COc1ccccc1OCc1cn(C(C)C)c2ccccc12.
What is the InChIKey of 3-[(2-methoxyphenoxy)methyl]-1-propan-2-ylindole?
The InChIKey is ZJPWXPBCIPSUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-14(2)20-12-15(16-8-4-5-9-17(16)20)13-22-19-11-7-6-10-18(19)21-3/h4-12,14H,13H2,1-3H3.
What are the key properties of 3-[(2-methoxyphenoxy)methyl]-1-propan-2-ylindole?
3-[(2-methoxyphenoxy)methyl]-1-propan-2-ylindole has a molecular weight of 295.38 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyphenoxy)methyl]-1-propan-2-ylindole is sourced from PubChem (CID 117171875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).