ethyl 6-methoxy-3-phenyl-1,2,4,9-tetrahydrocarbazole-3-carboxylate

C22H23NO3 — CID 70535381

IUPACethyl 6-methoxy-3-phenyl-1,2,4,9-tetrahydrocarbazole-3-carboxylate
SMILESCCOC(=O)C1(c2ccccc2)CCc2[nH]c3ccc(OC)cc3c2C1
InChIInChI=1S/C22H23NO3/c1-3-26-21(24)22(15-7-5-4-6-8-15)12-11-20-18(14-22)17-13-16(25-2)9-10-19(17)23-20/h4-10,13,23H,3,11-12,14H2,1-2H3
InChIKeyQDAJHDBNIKKZHI-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.17
Rot. Bonds4

About ethyl 6-methoxy-3-phenyl-1,2,4,9-tetrahydrocarbazole-3-carboxylate

ethyl 6-methoxy-3-phenyl-1,2,4,9-tetrahydrocarbazole-3-carboxylate (PubChem CID 70535381) has the molecular formula C22H23NO3 and a molecular weight of 349.43 g/mol. Its IUPAC name is ethyl 6-methoxy-3-phenyl-1,2,4,9-tetrahydrocarbazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-methoxy-3-phenyl-1,2,4,9-tetrahydrocarbazole-3-carboxylate
PubChem CID70535381
Molecular FormulaC22H23NO3
Molecular Weight349.43 g/mol
Exact Mass349.17
IUPAC Nameethyl 6-methoxy-3-phenyl-1,2,4,9-tetrahydrocarbazole-3-carboxylate
SMILESCCOC(=O)C1(c2ccccc2)CCc2[nH]c3ccc(OC)cc3c2C1
InChIInChI=1S/C22H23NO3/c1-3-26-21(24)22(15-7-5-4-6-8-15)12-11-20-18(14-22)17-13-16(25-2)9-10-19(17)23-20/h4-10,13,23H,3,11-12,14H2,1-2H3
InChIKeyQDAJHDBNIKKZHI-UHFFFAOYSA-N
XLogP4.17
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

(6-methoxy-3-phenyl-1,2,4,9-tetrahydrocarbazol-3-yl)methanamine;hydrochloride
CID 70573974
6-methoxy-3,3-dimethyl-1,2,4,9-tetrahydrocarbazole
CID 65335451
ethyl 9-[3-(dimethylamino)propyl]-6-methoxy-3-phenyl-2,4-dihydro-1H-carbazole-3-carboxylate
CID 70536363
methyl 6-methoxy-3-(2-methylphenyl)-1,2,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate
CID 68892025
ethyl 6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
CID 118868692
diethyl (1R)-1-butyl-6-methoxy-1,2,4,9-tetrahydropyrido[3,4-b]indole-3,3-dicarboxylate
CID 101391450
ethyl 1-(6-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)cyclobutane-1-carboxylate
CID 18317908
ethyl 2-phenyl-1,3-dihydroindene-2-carboxylate
CID 118559917
diethyl 2-[(1S)-1-(5-methoxy-3-methyl-1H-indol-2-yl)-2-oxo-2-phenylethyl]propanedioate
CID 135033110
ethyl (1S)-2-(2-chloroacetyl)-6-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole-1-carboxylate
CID 42108608
ethyl 9-methoxy-1,2,5,6-tetrahydroazepino[4,5-b]indole-5-carboxylate
CID 91271831
(2Z)-2-(6-methoxy-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-ylidene)-2-phenylacetamide
CID 24852332

Frequently Asked Questions

What is the IUPAC name of ethyl 6-methoxy-3-phenyl-1,2,4,9-tetrahydrocarbazole-3-carboxylate?
The IUPAC name of ethyl 6-methoxy-3-phenyl-1,2,4,9-tetrahydrocarbazole-3-carboxylate (CID 70535381) is ethyl 6-methoxy-3-phenyl-1,2,4,9-tetrahydrocarbazole-3-carboxylate.
What is the SMILES notation for ethyl 6-methoxy-3-phenyl-1,2,4,9-tetrahydrocarbazole-3-carboxylate?
The canonical SMILES for ethyl 6-methoxy-3-phenyl-1,2,4,9-tetrahydrocarbazole-3-carboxylate is CCOC(=O)C1(c2ccccc2)CCc2[nH]c3ccc(OC)cc3c2C1.
What is the InChIKey of ethyl 6-methoxy-3-phenyl-1,2,4,9-tetrahydrocarbazole-3-carboxylate?
The InChIKey is QDAJHDBNIKKZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3/c1-3-26-21(24)22(15-7-5-4-6-8-15)12-11-20-18(14-22)17-13-16(25-2)9-10-19(17)23-20/h4-10,13,23H,3,11-12,14H2,1-2H3.
What are the key properties of ethyl 6-methoxy-3-phenyl-1,2,4,9-tetrahydrocarbazole-3-carboxylate?
ethyl 6-methoxy-3-phenyl-1,2,4,9-tetrahydrocarbazole-3-carboxylate has a molecular weight of 349.43 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methoxy-3-phenyl-1,2,4,9-tetrahydrocarbazole-3-carboxylate is sourced from PubChem (CID 70535381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).