5-methoxy-2-methyl-2-[(1S)-1-phenylprop-2-enyl]-1,3-dihydroindole

C19H21NO — CID 135035324

IUPAC5-methoxy-2-methyl-2-[(1S)-1-phenylprop-2-enyl]-1,3-dihydroindole
SMILESC=C[C@@H](c1ccccc1)C1(C)Cc2cc(OC)ccc2N1
InChIInChI=1S/C19H21NO/c1-4-17(14-8-6-5-7-9-14)19(2)13-15-12-16(21-3)10-11-18(15)20-19/h4-12,17,20H,1,13H2,2-3H3/t17-,19?/m0/s1
InChIKeyBUUQGKDFVMXNSB-KKFHFHRHSA-N
MW279.38 g/mol
LogP4.39
Rot. Bonds4

About 5-methoxy-2-methyl-2-[(1S)-1-phenylprop-2-enyl]-1,3-dihydroindole

5-methoxy-2-methyl-2-[(1S)-1-phenylprop-2-enyl]-1,3-dihydroindole (PubChem CID 135035324) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 5-methoxy-2-methyl-2-[(1S)-1-phenylprop-2-enyl]-1,3-dihydroindole.

Molecular Properties

Compound Name5-methoxy-2-methyl-2-[(1S)-1-phenylprop-2-enyl]-1,3-dihydroindole
PubChem CID135035324
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name5-methoxy-2-methyl-2-[(1S)-1-phenylprop-2-enyl]-1,3-dihydroindole
SMILESC=C[C@@H](c1ccccc1)C1(C)Cc2cc(OC)ccc2N1
InChIInChI=1S/C19H21NO/c1-4-17(14-8-6-5-7-9-14)19(2)13-15-12-16(21-3)10-11-18(15)20-19/h4-12,17,20H,1,13H2,2-3H3/t17-,19?/m0/s1
InChIKeyBUUQGKDFVMXNSB-KKFHFHRHSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-methyl-2-[(1S)-1-phenylprop-2-enyl]-1,3-dihydroindole?
The IUPAC name of 5-methoxy-2-methyl-2-[(1S)-1-phenylprop-2-enyl]-1,3-dihydroindole (CID 135035324) is 5-methoxy-2-methyl-2-[(1S)-1-phenylprop-2-enyl]-1,3-dihydroindole.
What is the SMILES notation for 5-methoxy-2-methyl-2-[(1S)-1-phenylprop-2-enyl]-1,3-dihydroindole?
The canonical SMILES for 5-methoxy-2-methyl-2-[(1S)-1-phenylprop-2-enyl]-1,3-dihydroindole is C=C[C@@H](c1ccccc1)C1(C)Cc2cc(OC)ccc2N1.
What is the InChIKey of 5-methoxy-2-methyl-2-[(1S)-1-phenylprop-2-enyl]-1,3-dihydroindole?
The InChIKey is BUUQGKDFVMXNSB-KKFHFHRHSA-N. The full InChI is InChI=1S/C19H21NO/c1-4-17(14-8-6-5-7-9-14)19(2)13-15-12-16(21-3)10-11-18(15)20-19/h4-12,17,20H,1,13H2,2-3H3/t17-,19?/m0/s1.
What are the key properties of 5-methoxy-2-methyl-2-[(1S)-1-phenylprop-2-enyl]-1,3-dihydroindole?
5-methoxy-2-methyl-2-[(1S)-1-phenylprop-2-enyl]-1,3-dihydroindole has a molecular weight of 279.38 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-methyl-2-[(1S)-1-phenylprop-2-enyl]-1,3-dihydroindole is sourced from PubChem (CID 135035324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).