2-methyl-4-phenylmethoxy-1H-indole;7-phenylmethoxy-1H-indole

C31H28N2O2 — CID 23185588

IUPAC2-methyl-4-phenylmethoxy-1H-indole;7-phenylmethoxy-1H-indole
SMILESCc1cc2c(OCc3ccccc3)cccc2[nH]1.c1ccc(COc2cccc3cc[nH]c23)cc1
InChIInChI=1S/C16H15NO.C15H13NO/c1-12-10-14-15(17-12)8-5-9-16(14)18-11-13-6-3-2-4-7-13;1-2-5-12(6-3-1)11-17-14-8-4-7-13-9-10-16-15(13)14/h2-10,17H,11H2,1H3;1-10,16H,11H2
InChIKeyPBBDHYBCTHUFCR-UHFFFAOYSA-N
MW460.58 g/mol
LogP7.80
Rot. Bonds6

About 2-methyl-4-phenylmethoxy-1H-indole;7-phenylmethoxy-1H-indole

2-methyl-4-phenylmethoxy-1H-indole;7-phenylmethoxy-1H-indole (PubChem CID 23185588) has the molecular formula C31H28N2O2 and a molecular weight of 460.58 g/mol. Its IUPAC name is 2-methyl-4-phenylmethoxy-1H-indole;7-phenylmethoxy-1H-indole.

Molecular Properties

Compound Name2-methyl-4-phenylmethoxy-1H-indole;7-phenylmethoxy-1H-indole
PubChem CID23185588
Molecular FormulaC31H28N2O2
Molecular Weight460.58 g/mol
Exact Mass460.22
IUPAC Name2-methyl-4-phenylmethoxy-1H-indole;7-phenylmethoxy-1H-indole
SMILESCc1cc2c(OCc3ccccc3)cccc2[nH]1.c1ccc(COc2cccc3cc[nH]c23)cc1
InChIInChI=1S/C16H15NO.C15H13NO/c1-12-10-14-15(17-12)8-5-9-16(14)18-11-13-6-3-2-4-7-13;1-2-5-12(6-3-1)11-17-14-8-4-7-13-9-10-16-15(13)14/h2-10,17H,11H2,1H3;1-10,16H,11H2
InChIKeyPBBDHYBCTHUFCR-UHFFFAOYSA-N
XLogP7.80
TPSA50.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.58
LogP ≤ 57.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-phenylmethoxy-1H-indole;7-phenylmethoxy-1H-indole?
The IUPAC name of 2-methyl-4-phenylmethoxy-1H-indole;7-phenylmethoxy-1H-indole (CID 23185588) is 2-methyl-4-phenylmethoxy-1H-indole;7-phenylmethoxy-1H-indole.
What is the SMILES notation for 2-methyl-4-phenylmethoxy-1H-indole;7-phenylmethoxy-1H-indole?
The canonical SMILES for 2-methyl-4-phenylmethoxy-1H-indole;7-phenylmethoxy-1H-indole is Cc1cc2c(OCc3ccccc3)cccc2[nH]1.c1ccc(COc2cccc3cc[nH]c23)cc1.
What is the InChIKey of 2-methyl-4-phenylmethoxy-1H-indole;7-phenylmethoxy-1H-indole?
The InChIKey is PBBDHYBCTHUFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO.C15H13NO/c1-12-10-14-15(17-12)8-5-9-16(14)18-11-13-6-3-2-4-7-13;1-2-5-12(6-3-1)11-17-14-8-4-7-13-9-10-16-15(13)14/h2-10,17H,11H2,1H3;1-10,16H,11H2.
What are the key properties of 2-methyl-4-phenylmethoxy-1H-indole;7-phenylmethoxy-1H-indole?
2-methyl-4-phenylmethoxy-1H-indole;7-phenylmethoxy-1H-indole has a molecular weight of 460.58 g/mol, XLogP of 7.80, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-phenylmethoxy-1H-indole;7-phenylmethoxy-1H-indole is sourced from PubChem (CID 23185588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).