6-[1-(3-methylphenyl)ethoxy]-1H-indole

C17H17NO — CID 175599037

IUPAC6-[1-(3-methylphenyl)ethoxy]-1H-indole
SMILESCc1cccc(C(C)Oc2ccc3cc[nH]c3c2)c1
InChIInChI=1S/C17H17NO/c1-12-4-3-5-15(10-12)13(2)19-16-7-6-14-8-9-18-17(14)11-16/h3-11,13,18H,1-2H3
InChIKeyLCMOTEISWLXBEI-UHFFFAOYSA-N
MW251.33 g/mol
LogP4.62
Rot. Bonds3

About 6-[1-(3-methylphenyl)ethoxy]-1H-indole

6-[1-(3-methylphenyl)ethoxy]-1H-indole (PubChem CID 175599037) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 6-[1-(3-methylphenyl)ethoxy]-1H-indole.

Molecular Properties

Compound Name6-[1-(3-methylphenyl)ethoxy]-1H-indole
PubChem CID175599037
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name6-[1-(3-methylphenyl)ethoxy]-1H-indole
SMILESCc1cccc(C(C)Oc2ccc3cc[nH]c3c2)c1
InChIInChI=1S/C17H17NO/c1-12-4-3-5-15(10-12)13(2)19-16-7-6-14-8-9-18-17(14)11-16/h3-11,13,18H,1-2H3
InChIKeyLCMOTEISWLXBEI-UHFFFAOYSA-N
XLogP4.62
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-[1-(3-fluorophenyl)ethoxy]-1H-indole
CID 175599029
1-methyl-3-(1-phenylethoxy)benzene
CID 64765647
hydron;6-methyl-1H-indole
CID 174894355
1H-indole;2-methylnaphthalene
CID 20520049
1-(1-hydroperoxyethyl)-3-methylbenzene
CID 131858292
tert-butyl 2-(1H-indol-6-yloxy)propanoate
CID 141216191
N-[1-(3-methylphenyl)ethyl]-1H-indol-5-amine
CID 43768662
1H-indol-6-yl hydrogen carbonate
CID 57316242
N-[(1R)-1-[4-ethyl-5-(1H-indol-6-yloxy)-1,2,4-triazol-3-yl]ethyl]-3-methylbenzenesulfonamide
CID 58499511
1-[bromo-(3-methylphenyl)methyl]-4-propan-2-yloxybenzene
CID 63441349
1-(3-methylphenyl)ethyl formate
CID 118679969
1H-indol-6-ol;6-methoxy-1H-indole
CID 158260625

Frequently Asked Questions

What is the IUPAC name of 6-[1-(3-methylphenyl)ethoxy]-1H-indole?
The IUPAC name of 6-[1-(3-methylphenyl)ethoxy]-1H-indole (CID 175599037) is 6-[1-(3-methylphenyl)ethoxy]-1H-indole.
What is the SMILES notation for 6-[1-(3-methylphenyl)ethoxy]-1H-indole?
The canonical SMILES for 6-[1-(3-methylphenyl)ethoxy]-1H-indole is Cc1cccc(C(C)Oc2ccc3cc[nH]c3c2)c1.
What is the InChIKey of 6-[1-(3-methylphenyl)ethoxy]-1H-indole?
The InChIKey is LCMOTEISWLXBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-12-4-3-5-15(10-12)13(2)19-16-7-6-14-8-9-18-17(14)11-16/h3-11,13,18H,1-2H3.
What are the key properties of 6-[1-(3-methylphenyl)ethoxy]-1H-indole?
6-[1-(3-methylphenyl)ethoxy]-1H-indole has a molecular weight of 251.33 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(3-methylphenyl)ethoxy]-1H-indole is sourced from PubChem (CID 175599037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).