5-methoxy-2,3-dimethyl-3-[(E)-3-phenylprop-2-enyl]indole

C20H21NO — CID 132601084

IUPAC5-methoxy-2,3-dimethyl-3-[(E)-3-phenylprop-2-enyl]indole
SMILESCOc1ccc2c(c1)C(C)(C/C=C/c1ccccc1)C(C)=N2
InChIInChI=1S/C20H21NO/c1-15-20(2,13-7-10-16-8-5-4-6-9-16)18-14-17(22-3)11-12-19(18)21-15/h4-12,14H,13H2,1-3H3/b10-7+
InChIKeyHIYGJGJRCOEOSK-JXMROGBWSA-N
MW291.39 g/mol
LogP5.16
Rot. Bonds4

About 5-methoxy-2,3-dimethyl-3-[(E)-3-phenylprop-2-enyl]indole

5-methoxy-2,3-dimethyl-3-[(E)-3-phenylprop-2-enyl]indole (PubChem CID 132601084) has the molecular formula C20H21NO and a molecular weight of 291.39 g/mol. Its IUPAC name is 5-methoxy-2,3-dimethyl-3-[(E)-3-phenylprop-2-enyl]indole.

Molecular Properties

Compound Name5-methoxy-2,3-dimethyl-3-[(E)-3-phenylprop-2-enyl]indole
PubChem CID132601084
Molecular FormulaC20H21NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC Name5-methoxy-2,3-dimethyl-3-[(E)-3-phenylprop-2-enyl]indole
SMILESCOc1ccc2c(c1)C(C)(C/C=C/c1ccccc1)C(C)=N2
InChIInChI=1S/C20H21NO/c1-15-20(2,13-7-10-16-8-5-4-6-9-16)18-14-17(22-3)11-12-19(18)21-15/h4-12,14H,13H2,1-3H3/b10-7+
InChIKeyHIYGJGJRCOEOSK-JXMROGBWSA-N
XLogP5.16
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.39
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 101145578
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CID 141285952
4-methoxy-2-[(Z)-3-phenylprop-2-enyl]phenol
CID 10263673
8-methoxy-1,1,2-trimethylbenzo[e]indole
CID 59867157
2,4-dimethoxy-N-[(E)-3-phenylprop-2-enyl]aniline
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2-chloro-5-methoxy-N-(3-phenylprop-2-enyl)aniline
CID 76997582
tris(4-methoxyphenoxy)-[(E)-2-phenylethenyl]silane
CID 102056330
[(E)-3-(1,2-dimethylcyclopent-2-en-1-yl)prop-1-enyl]benzene
CID 138964219
1-methoxy-4-(4-phenylbuta-1,3-dienyl)benzene
CID 4560156
1-methoxy-4-(3-phenoxyprop-1-enyl)benzene
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CID 15305963

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2,3-dimethyl-3-[(E)-3-phenylprop-2-enyl]indole?
The IUPAC name of 5-methoxy-2,3-dimethyl-3-[(E)-3-phenylprop-2-enyl]indole (CID 132601084) is 5-methoxy-2,3-dimethyl-3-[(E)-3-phenylprop-2-enyl]indole.
What is the SMILES notation for 5-methoxy-2,3-dimethyl-3-[(E)-3-phenylprop-2-enyl]indole?
The canonical SMILES for 5-methoxy-2,3-dimethyl-3-[(E)-3-phenylprop-2-enyl]indole is COc1ccc2c(c1)C(C)(C/C=C/c1ccccc1)C(C)=N2.
What is the InChIKey of 5-methoxy-2,3-dimethyl-3-[(E)-3-phenylprop-2-enyl]indole?
The InChIKey is HIYGJGJRCOEOSK-JXMROGBWSA-N. The full InChI is InChI=1S/C20H21NO/c1-15-20(2,13-7-10-16-8-5-4-6-9-16)18-14-17(22-3)11-12-19(18)21-15/h4-12,14H,13H2,1-3H3/b10-7+.
What are the key properties of 5-methoxy-2,3-dimethyl-3-[(E)-3-phenylprop-2-enyl]indole?
5-methoxy-2,3-dimethyl-3-[(E)-3-phenylprop-2-enyl]indole has a molecular weight of 291.39 g/mol, XLogP of 5.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2,3-dimethyl-3-[(E)-3-phenylprop-2-enyl]indole is sourced from PubChem (CID 132601084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).