2,3,3-trimethyl-5-phenylmethoxyindole

C18H19NO — CID 153467530

IUPAC2,3,3-trimethyl-5-phenylmethoxyindole
SMILESCC1=Nc2ccc(OCc3ccccc3)cc2C1(C)C
InChIInChI=1S/C18H19NO/c1-13-18(2,3)16-11-15(9-10-17(16)19-13)20-12-14-7-5-4-6-8-14/h4-11H,12H2,1-3H3
InChIKeyRHSUUXLZFNMEFN-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.65
Rot. Bonds3

About 2,3,3-trimethyl-5-phenylmethoxyindole

2,3,3-trimethyl-5-phenylmethoxyindole (PubChem CID 153467530) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 2,3,3-trimethyl-5-phenylmethoxyindole.

Molecular Properties

Compound Name2,3,3-trimethyl-5-phenylmethoxyindole
PubChem CID153467530
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name2,3,3-trimethyl-5-phenylmethoxyindole
SMILESCC1=Nc2ccc(OCc3ccccc3)cc2C1(C)C
InChIInChI=1S/C18H19NO/c1-13-18(2,3)16-11-15(9-10-17(16)19-13)20-12-14-7-5-4-6-8-14/h4-11H,12H2,1-3H3
InChIKeyRHSUUXLZFNMEFN-UHFFFAOYSA-N
XLogP4.65
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,4,4-tetramethyl-6-phenylmethoxy-2,3-dihydronaphthalene
CID 91488860
3,3-dimethyl-5-phenylmethoxy-1-benzofuran-2-one
CID 563751
3,3-dimethyl-5-phenylmethoxy-2-benzofuran-1-one
CID 122389437
1,3-dichloro-9,9-dimethyl-7-(phenylmethoxymethoxy)acridin-2-one
CID 18466455
2-methyl-6-phenylmethoxyquinoline
CID 82580854
fluoromethane;1-methyl-4-phenylmethoxybenzene
CID 91304163
2-methyl-4-phenylmethoxybenzenethiol
CID 142266616
methyl 4-[4-[[3-methyl-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)indol-3-yl]methyl]phenoxy]butanoate
CID 167478465
4,5,5-trimethyl-1-oxido-2-(4-phenylmethoxyphenyl)imidazol-1-ium
CID 11220556
2-methyl-7-phenylmethoxynaphthalene
CID 90146760
2,3-dimethyl-6-phenylmethoxyquinolin-4-amine
CID 62204130
4,4,5,5-tetramethyl-2-(2-methyl-4-phenylmethoxyphenyl)-1,3,2-dioxaborolane
CID 83137097

Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethyl-5-phenylmethoxyindole?
The IUPAC name of 2,3,3-trimethyl-5-phenylmethoxyindole (CID 153467530) is 2,3,3-trimethyl-5-phenylmethoxyindole.
What is the SMILES notation for 2,3,3-trimethyl-5-phenylmethoxyindole?
The canonical SMILES for 2,3,3-trimethyl-5-phenylmethoxyindole is CC1=Nc2ccc(OCc3ccccc3)cc2C1(C)C.
What is the InChIKey of 2,3,3-trimethyl-5-phenylmethoxyindole?
The InChIKey is RHSUUXLZFNMEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-13-18(2,3)16-11-15(9-10-17(16)19-13)20-12-14-7-5-4-6-8-14/h4-11H,12H2,1-3H3.
What are the key properties of 2,3,3-trimethyl-5-phenylmethoxyindole?
2,3,3-trimethyl-5-phenylmethoxyindole has a molecular weight of 265.36 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethyl-5-phenylmethoxyindole is sourced from PubChem (CID 153467530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).