5-ethoxy-2-(2-methoxy-5-methylphenyl)-2,3-dihydro-1H-indole

C18H21NO2 — CID 4271065

IUPAC5-ethoxy-2-(2-methoxy-5-methylphenyl)-2,3-dihydro-1H-indole
SMILESCCOc1ccc2c(c1)CC(c1cc(C)ccc1OC)N2
InChIInChI=1S/C18H21NO2/c1-4-21-14-6-7-16-13(10-14)11-17(19-16)15-9-12(2)5-8-18(15)20-3/h5-10,17,19H,4,11H2,1-3H3
InChIKeyHMQOHOQGJZQCOL-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.11
Rot. Bonds4

About 5-ethoxy-2-(2-methoxy-5-methylphenyl)-2,3-dihydro-1H-indole

5-ethoxy-2-(2-methoxy-5-methylphenyl)-2,3-dihydro-1H-indole (PubChem CID 4271065) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 5-ethoxy-2-(2-methoxy-5-methylphenyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-ethoxy-2-(2-methoxy-5-methylphenyl)-2,3-dihydro-1H-indole
PubChem CID4271065
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name5-ethoxy-2-(2-methoxy-5-methylphenyl)-2,3-dihydro-1H-indole
SMILESCCOc1ccc2c(c1)CC(c1cc(C)ccc1OC)N2
InChIInChI=1S/C18H21NO2/c1-4-21-14-6-7-16-13(10-14)11-17(19-16)15-9-12(2)5-8-18(15)20-3/h5-10,17,19H,4,11H2,1-3H3
InChIKeyHMQOHOQGJZQCOL-UHFFFAOYSA-N
XLogP4.11
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-ethoxy-2-(2-methylphenyl)-2,3-dihydro-1H-indole
CID 4656228
2-(2,5-dimethylthiophen-3-yl)-5-ethoxy-2,3-dihydro-1H-indole
CID 4657849
2-(2,4-dimethylphenyl)-5-methoxy-2,3-dihydro-1H-indole
CID 4046261
2-(2-methoxyphenyl)-5-phenylmethoxy-2,3-dihydro-1H-indole
CID 142624947
5-ethoxy-2-methyl-2,3-dihydro-1H-indole
CID 21441430
4-(2-methoxy-5-methylphenyl)azetidin-2-one
CID 66350975
2-(2-methoxyphenyl)-2,3-dihydro-1H-indol-5-ol
CID 84702637
5-butyl-2-(2-methoxyphenyl)-2,3-dihydro-1H-indole
CID 3984067
2-(cyclopropylmethyl)-6-ethoxy-1,2,3,4-tetrahydroquinolin-3-ol
CID 164664284
6,7-diethoxy-1-(2-methoxy-5-methylphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 3994992
2-(4-ethoxyphenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 4657850
(5-ethoxy-2-methoxyphenyl)-piperidin-4-ylmethanone
CID 82553003

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-(2-methoxy-5-methylphenyl)-2,3-dihydro-1H-indole?
The IUPAC name of 5-ethoxy-2-(2-methoxy-5-methylphenyl)-2,3-dihydro-1H-indole (CID 4271065) is 5-ethoxy-2-(2-methoxy-5-methylphenyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-ethoxy-2-(2-methoxy-5-methylphenyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 5-ethoxy-2-(2-methoxy-5-methylphenyl)-2,3-dihydro-1H-indole is CCOc1ccc2c(c1)CC(c1cc(C)ccc1OC)N2.
What is the InChIKey of 5-ethoxy-2-(2-methoxy-5-methylphenyl)-2,3-dihydro-1H-indole?
The InChIKey is HMQOHOQGJZQCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-4-21-14-6-7-16-13(10-14)11-17(19-16)15-9-12(2)5-8-18(15)20-3/h5-10,17,19H,4,11H2,1-3H3.
What are the key properties of 5-ethoxy-2-(2-methoxy-5-methylphenyl)-2,3-dihydro-1H-indole?
5-ethoxy-2-(2-methoxy-5-methylphenyl)-2,3-dihydro-1H-indole has a molecular weight of 283.37 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-(2-methoxy-5-methylphenyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 4271065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).