1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(1,2,4-triazol-1-yl)propan-2-ol

C23H23ClN4O2 — CID 11690353

IUPAC1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(1,2,4-triazol-1-yl)propan-2-ol
SMILESOC(COc1ccc(C2CCCc3c2[nH]c2ccc(Cl)cc32)cc1)Cn1cncn1
InChIInChI=1S/C23H23ClN4O2/c24-16-6-9-22-21(10-16)20-3-1-2-19(23(20)27-22)15-4-7-18(8-5-15)30-12-17(29)11-28-14-25-13-26-28/h4-10,13-14,17,19,27,29H,1-3,11-12H2
InChIKeyCYLNFBDJLUMJOS-UHFFFAOYSA-N
MW422.92 g/mol
LogP4.32
Rot. Bonds6

About 1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(1,2,4-triazol-1-yl)propan-2-ol

1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(1,2,4-triazol-1-yl)propan-2-ol (PubChem CID 11690353) has the molecular formula C23H23ClN4O2 and a molecular weight of 422.92 g/mol. Its IUPAC name is 1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(1,2,4-triazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(1,2,4-triazol-1-yl)propan-2-ol
PubChem CID11690353
Molecular FormulaC23H23ClN4O2
Molecular Weight422.92 g/mol
Exact Mass422.15
IUPAC Name1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(1,2,4-triazol-1-yl)propan-2-ol
SMILESOC(COc1ccc(C2CCCc3c2[nH]c2ccc(Cl)cc32)cc1)Cn1cncn1
InChIInChI=1S/C23H23ClN4O2/c24-16-6-9-22-21(10-16)20-3-1-2-19(23(20)27-22)15-4-7-18(8-5-15)30-12-17(29)11-28-14-25-13-26-28/h4-10,13-14,17,19,27,29H,1-3,11-12H2
InChIKeyCYLNFBDJLUMJOS-UHFFFAOYSA-N
XLogP4.32
TPSA75.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.92
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 11525297
1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-imidazol-1-ylpropan-2-ol;1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol;1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-pyrazol-1-ylpropan-2-ol;1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(triazol-1-yl)propan-2-ol
CID 160663749
6-chloro-1-[4-(oxiran-2-ylmethoxy)phenyl]-2,3,4,9-tetrahydro-1H-carbazole
CID 11667524
ethyl 6-chloro-1-[4-[2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[4-[2-hydroxy-3-(1,2,4-triazol-1-yl)propoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-fluorophenyl) 1-[4-[3-(4-acetylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]-6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-fluorophenyl) 6-chloro-1-[4-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
CID 160621252
benzyl 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethenyl 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[4-[2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[4-[2-hydroxy-3-(1,2,4-triazol-1-yl)propoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
CID 159380696
N-[[4-(2-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indol-6-yl)phenoxy]methyl]-1-imidazol-1-yl-N-methoxymethanamine
CID 118081892
1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenoxy]-3-(methylamino)propan-2-ol
CID 143312652
(2S)-3-[4-[(1S)-6-chloro-2-[cyclobutylmethoxy(hydroxy)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]propane-1,2-diol
CID 155173053
[6-chloro-1-[4-methoxy-3-[3-(1,2,4-triazol-1-yl)propoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(4-chlorophenoxy)methanol
CID 91010574
ethyl 6-chloro-1-[4-(2-hydroxy-3-thiomorpholin-4-ylpropoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
CID 59421549
7-chloro-1-[4-(2,3-dihydroxypropoxy)phenyl]-3,4,5,10-tetrahydro-1H-azepino[3,4-b]indole-2-carbaldehyde;2-methoxypropane
CID 143312453
(4-chlorophenyl) 6-chloro-1-[4-(2-hydroxy-3-thiomorpholin-4-ylpropoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-fluorophenyl) 6-chloro-1-[4-(2-hydroxy-3-imidazol-1-ylpropoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-fluorophenyl) 6-chloro-1-[4-(2-hydroxy-3-thiomorpholin-4-ylpropoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
CID 159132065

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(1,2,4-triazol-1-yl)propan-2-ol?
The IUPAC name of 1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(1,2,4-triazol-1-yl)propan-2-ol (CID 11690353) is 1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(1,2,4-triazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(1,2,4-triazol-1-yl)propan-2-ol?
The canonical SMILES for 1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(1,2,4-triazol-1-yl)propan-2-ol is OC(COc1ccc(C2CCCc3c2[nH]c2ccc(Cl)cc32)cc1)Cn1cncn1.
What is the InChIKey of 1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(1,2,4-triazol-1-yl)propan-2-ol?
The InChIKey is CYLNFBDJLUMJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O2/c24-16-6-9-22-21(10-16)20-3-1-2-19(23(20)27-22)15-4-7-18(8-5-15)30-12-17(29)11-28-14-25-13-26-28/h4-10,13-14,17,19,27,29H,1-3,11-12H2.
What are the key properties of 1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(1,2,4-triazol-1-yl)propan-2-ol?
1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(1,2,4-triazol-1-yl)propan-2-ol has a molecular weight of 422.92 g/mol, XLogP of 4.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(1,2,4-triazol-1-yl)propan-2-ol is sourced from PubChem (CID 11690353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).