5-[(2,5-dimethylphenyl)methoxy]-1H-indole

C17H17NO — CID 80642432

IUPAC5-[(2,5-dimethylphenyl)methoxy]-1H-indole
SMILESCc1ccc(C)c(COc2ccc3[nH]ccc3c2)c1
InChIInChI=1S/C17H17NO/c1-12-3-4-13(2)15(9-12)11-19-16-5-6-17-14(10-16)7-8-18-17/h3-10,18H,11H2,1-2H3
InChIKeyRHGQJCNIECYZNO-UHFFFAOYSA-N
MW251.33 g/mol
LogP4.36
Rot. Bonds3

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

5-[(2,5-dimethylphenyl)methoxy]-1H-indole (PubChem CID 80642432) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-[(2,5-dimethylphenyl)methoxy]-1H-indole.

Molecular Properties

Compound Name5-[(2,5-dimethylphenyl)methoxy]-1H-indole
PubChem CID80642432
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name5-[(2,5-dimethylphenyl)methoxy]-1H-indole
SMILESCc1ccc(C)c(COc2ccc3[nH]ccc3c2)c1
InChIInChI=1S/C17H17NO/c1-12-3-4-13(2)15(9-12)11-19-16-5-6-17-14(10-16)7-8-18-17/h3-10,18H,11H2,1-2H3
InChIKeyRHGQJCNIECYZNO-UHFFFAOYSA-N
XLogP4.36
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 ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dimethylphenyl)methoxy]-1H-indole?
The IUPAC name of 5-[(2,5-dimethylphenyl)methoxy]-1H-indole (CID 80642432) is 5-[(2,5-dimethylphenyl)methoxy]-1H-indole.
What is the SMILES notation for 5-[(2,5-dimethylphenyl)methoxy]-1H-indole?
The canonical SMILES for 5-[(2,5-dimethylphenyl)methoxy]-1H-indole is Cc1ccc(C)c(COc2ccc3[nH]ccc3c2)c1.
What is the InChIKey of 5-[(2,5-dimethylphenyl)methoxy]-1H-indole?
The InChIKey is RHGQJCNIECYZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-12-3-4-13(2)15(9-12)11-19-16-5-6-17-14(10-16)7-8-18-17/h3-10,18H,11H2,1-2H3.
What are the key properties of 5-[(2,5-dimethylphenyl)methoxy]-1H-indole?
5-[(2,5-dimethylphenyl)methoxy]-1H-indole has a molecular weight of 251.33 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dimethylphenyl)methoxy]-1H-indole is sourced from PubChem (CID 80642432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).