(2-chlorophenyl)methyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate

C20H18ClNO2 — CID 50888463

IUPAC(2-chlorophenyl)methyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate
SMILESO=C(OCc1ccccc1Cl)c1cccc2c3c([nH]c12)CCCC3
InChIInChI=1S/C20H18ClNO2/c21-17-10-3-1-6-13(17)12-24-20(23)16-9-5-8-15-14-7-2-4-11-18(14)22-19(15)16/h1,3,5-6,8-10,22H,2,4,7,11-12H2
InChIKeyOYIYODGXYXGQFQ-UHFFFAOYSA-N
MW339.82 g/mol
LogP5.06
Rot. Bonds3

About (2-chlorophenyl)methyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate

(2-chlorophenyl)methyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate (PubChem CID 50888463) has the molecular formula C20H18ClNO2 and a molecular weight of 339.82 g/mol. Its IUPAC name is (2-chlorophenyl)methyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate.

Molecular Properties

Compound Name(2-chlorophenyl)methyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate
PubChem CID50888463
Molecular FormulaC20H18ClNO2
Molecular Weight339.82 g/mol
Exact Mass339.10
IUPAC Name(2-chlorophenyl)methyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate
SMILESO=C(OCc1ccccc1Cl)c1cccc2c3c([nH]c12)CCCC3
InChIInChI=1S/C20H18ClNO2/c21-17-10-3-1-6-13(17)12-24-20(23)16-9-5-8-15-14-7-2-4-11-18(14)22-19(15)16/h1,3,5-6,8-10,22H,2,4,7,11-12H2
InChIKeyOYIYODGXYXGQFQ-UHFFFAOYSA-N
XLogP5.06
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.82
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methylpropyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate
CID 50888414
[4-(2-chlorophenyl)piperazin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-1-yl)methanone
CID 37253115
8-chloro-2,3,4,9-tetrahydro-1H-carbazole
CID 14415821
(2-chlorophenyl)methyl 2-amino-3-chlorobenzoate
CID 115279797
[(2S)-1-carbamoylpyrrolidin-2-yl]methyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate
CID 99564790
[(2R)-1-carbamoylpyrrolidin-2-yl]methyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate
CID 99564791
(2-chlorophenyl)methyl 2-oxo-1H-quinoline-4-carboxylate
CID 895054
(2-chloro-4-methoxyphenyl)methyl 6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate
CID 23470239
N-[2-(2-methylpropanoylamino)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 46581679
8-ethyl-2,3,4,9-tetrahydro-1H-carbazole
CID 21239685
3-(1-methylpyrazol-4-yl)propyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate
CID 56799241
N-methyl-N-[2-[methyl(1,2,3,4-tetrahydrocyclopenta[b]indole-5-carbonyl)amino]ethyl]-1,2,3,4-tetrahydrocyclopenta[b]indole-5-carboxamide
CID 166185537

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)methyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate?
The IUPAC name of (2-chlorophenyl)methyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate (CID 50888463) is (2-chlorophenyl)methyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate.
What is the SMILES notation for (2-chlorophenyl)methyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate?
The canonical SMILES for (2-chlorophenyl)methyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate is O=C(OCc1ccccc1Cl)c1cccc2c3c([nH]c12)CCCC3.
What is the InChIKey of (2-chlorophenyl)methyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate?
The InChIKey is OYIYODGXYXGQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO2/c21-17-10-3-1-6-13(17)12-24-20(23)16-9-5-8-15-14-7-2-4-11-18(14)22-19(15)16/h1,3,5-6,8-10,22H,2,4,7,11-12H2.
What are the key properties of (2-chlorophenyl)methyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate?
(2-chlorophenyl)methyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate has a molecular weight of 339.82 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)methyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate is sourced from PubChem (CID 50888463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).