5-ethenyl-4-methyl-6-phenylmethoxy-2,3-dihydro-1H-indole

C18H19NO — CID 143450740

IUPAC5-ethenyl-4-methyl-6-phenylmethoxy-2,3-dihydro-1H-indole
SMILESC=Cc1c(OCc2ccccc2)cc2c(c1C)CCN2
InChIInChI=1S/C18H19NO/c1-3-15-13(2)16-9-10-19-17(16)11-18(15)20-12-14-7-5-4-6-8-14/h3-8,11,19H,1,9-10,12H2,2H3
InChIKeyIKFFPYCSOOTGJT-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.19
Rot. Bonds4

About 5-ethenyl-4-methyl-6-phenylmethoxy-2,3-dihydro-1H-indole

5-ethenyl-4-methyl-6-phenylmethoxy-2,3-dihydro-1H-indole (PubChem CID 143450740) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-ethenyl-4-methyl-6-phenylmethoxy-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-ethenyl-4-methyl-6-phenylmethoxy-2,3-dihydro-1H-indole
PubChem CID143450740
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name5-ethenyl-4-methyl-6-phenylmethoxy-2,3-dihydro-1H-indole
SMILESC=Cc1c(OCc2ccccc2)cc2c(c1C)CCN2
InChIInChI=1S/C18H19NO/c1-3-15-13(2)16-9-10-19-17(16)11-18(15)20-12-14-7-5-4-6-8-14/h3-8,11,19H,1,9-10,12H2,2H3
InChIKeyIKFFPYCSOOTGJT-UHFFFAOYSA-N
XLogP4.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-5-phenylmethoxy-2,3-dihydro-1H-indole
CID 133056207
1-ethenyl-2-methyl-3,5-bis(phenylmethoxy)benzene
CID 123206589
2-hydroxy-3-methyl-4,6-bis(phenylmethoxy)benzaldehyde
CID 141442254
6-phenylmethoxy-2,3-dihydro-1H-indole
CID 18932839
2-ethenyl-3-phenylmethoxynaphthalene
CID 102243769
5-[(2-methylphenoxy)methyl]-2,3-dihydro-1H-indole
CID 115103966
5-chloro-7-phenylmethoxy-2,3-dihydro-1H-indole
CID 14849556
(1Z)-1-[(E)-5-chloro-3-phenylmethoxypent-3-en-2-ylidene]-5-methoxy-6-phenylmethoxy-3,4-dihydro-2H-isoquinoline
CID 155017397
3-fluoro-4-methyl-5-phenylmethoxybenzoic acid
CID 67217575
2-methyl-4,6-bis(phenylmethoxy)benzaldehyde
CID 11359497
4-[(1E)-3-ethoxybuta-1,3-dienyl]-2-methyl-1-phenylmethoxybenzene
CID 89319080
ethyl 4-phenylmethoxynaphthalene-2-carboxylate
CID 22127020

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-4-methyl-6-phenylmethoxy-2,3-dihydro-1H-indole?
The IUPAC name of 5-ethenyl-4-methyl-6-phenylmethoxy-2,3-dihydro-1H-indole (CID 143450740) is 5-ethenyl-4-methyl-6-phenylmethoxy-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-ethenyl-4-methyl-6-phenylmethoxy-2,3-dihydro-1H-indole?
The canonical SMILES for 5-ethenyl-4-methyl-6-phenylmethoxy-2,3-dihydro-1H-indole is C=Cc1c(OCc2ccccc2)cc2c(c1C)CCN2.
What is the InChIKey of 5-ethenyl-4-methyl-6-phenylmethoxy-2,3-dihydro-1H-indole?
The InChIKey is IKFFPYCSOOTGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-3-15-13(2)16-9-10-19-17(16)11-18(15)20-12-14-7-5-4-6-8-14/h3-8,11,19H,1,9-10,12H2,2H3.
What are the key properties of 5-ethenyl-4-methyl-6-phenylmethoxy-2,3-dihydro-1H-indole?
5-ethenyl-4-methyl-6-phenylmethoxy-2,3-dihydro-1H-indole has a molecular weight of 265.36 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-4-methyl-6-phenylmethoxy-2,3-dihydro-1H-indole is sourced from PubChem (CID 143450740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).