3-methyl-5-phenoxy-1H-indole

C15H13NO — CID 82494590

IUPAC3-methyl-5-phenoxy-1H-indole
SMILESCc1c[nH]c2ccc(Oc3ccccc3)cc12
InChIInChI=1S/C15H13NO/c1-11-10-16-15-8-7-13(9-14(11)15)17-12-5-3-2-4-6-12/h2-10,16H,1H3
InChIKeyIUSVMSFPCQFDTC-UHFFFAOYSA-N
MW223.28 g/mol
LogP4.27
Rot. Bonds2

About 3-methyl-5-phenoxy-1H-indole

3-methyl-5-phenoxy-1H-indole (PubChem CID 82494590) has the molecular formula C15H13NO and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-methyl-5-phenoxy-1H-indole.

Molecular Properties

Compound Name3-methyl-5-phenoxy-1H-indole
PubChem CID82494590
Molecular FormulaC15H13NO
Molecular Weight223.28 g/mol
Exact Mass223.10
IUPAC Name3-methyl-5-phenoxy-1H-indole
SMILESCc1c[nH]c2ccc(Oc3ccccc3)cc12
InChIInChI=1S/C15H13NO/c1-11-10-16-15-8-7-13(9-14(11)15)17-12-5-3-2-4-6-12/h2-10,16H,1H3
InChIKeyIUSVMSFPCQFDTC-UHFFFAOYSA-N
XLogP4.27
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-ethoxy-3-methyl-1H-indole
CID 82490542
3,5-dimethyl-1H-indole
CID 142943492
methyl 2-[5-[3-(3-phenoxyphenoxy)propoxy]-1H-indol-3-yl]acetate
CID 142737100
3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-phenoxy-1H-indole;oxalic acid
CID 44533059
2-methyl-4-phenoxyphenol
CID 23089676
2-phenoxy-10H-acridin-9-one
CID 14029103
2-[5-(2-methylphenoxy)-1H-indol-3-yl]-2-oxoacetyl chloride
CID 21071441
4-oxo-6-phenoxy-N-(1-pyridin-2-ylethyl)-1H-quinoline-3-carboxamide
CID 154840617
5-(4-methylsulfonylphenoxy)-1H-indole-3-carboxylic acid
CID 142778079
1,4-dimethyl-6-phenoxy-9H-carbazole-3-carbaldehyde
CID 10064291
3-methyl-1H-indole;N-methylmethanamine
CID 68994741
3-methyl-5-phenylmethoxy-1H-indole;5-phenylmethoxy-1H-indene
CID 165040105

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-phenoxy-1H-indole?
The IUPAC name of 3-methyl-5-phenoxy-1H-indole (CID 82494590) is 3-methyl-5-phenoxy-1H-indole.
What is the SMILES notation for 3-methyl-5-phenoxy-1H-indole?
The canonical SMILES for 3-methyl-5-phenoxy-1H-indole is Cc1c[nH]c2ccc(Oc3ccccc3)cc12.
What is the InChIKey of 3-methyl-5-phenoxy-1H-indole?
The InChIKey is IUSVMSFPCQFDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO/c1-11-10-16-15-8-7-13(9-14(11)15)17-12-5-3-2-4-6-12/h2-10,16H,1H3.
What are the key properties of 3-methyl-5-phenoxy-1H-indole?
3-methyl-5-phenoxy-1H-indole has a molecular weight of 223.28 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-phenoxy-1H-indole is sourced from PubChem (CID 82494590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).