2-[3-(4-chlorophenyl)-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]ethanol

C19H19ClN2O — CID 23909376

IUPAC2-[3-(4-chlorophenyl)-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]ethanol
SMILESOCCN1N=C2c3ccccc3CCC2C1c1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN2O/c20-15-8-5-14(6-9-15)19-17-10-7-13-3-1-2-4-16(13)18(17)21-22(19)11-12-23/h1-6,8-9,17,19,23H,7,10-12H2
InChIKeyGLAJGQFXXUYJBJ-UHFFFAOYSA-N
MW326.83 g/mol
LogP3.66
Rot. Bonds3

About 2-[3-(4-chlorophenyl)-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]ethanol

2-[3-(4-chlorophenyl)-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]ethanol (PubChem CID 23909376) has the molecular formula C19H19ClN2O and a molecular weight of 326.83 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]ethanol.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]ethanol
PubChem CID23909376
Molecular FormulaC19H19ClN2O
Molecular Weight326.83 g/mol
Exact Mass326.12
IUPAC Name2-[3-(4-chlorophenyl)-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]ethanol
SMILESOCCN1N=C2c3ccccc3CCC2C1c1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN2O/c20-15-8-5-14(6-9-15)19-17-10-7-13-3-1-2-4-16(13)18(17)21-22(19)11-12-23/h1-6,8-9,17,19,23H,7,10-12H2
InChIKeyGLAJGQFXXUYJBJ-UHFFFAOYSA-N
XLogP3.66
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]ethanol?
The IUPAC name of 2-[3-(4-chlorophenyl)-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]ethanol (CID 23909376) is 2-[3-(4-chlorophenyl)-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]ethanol.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]ethanol?
The canonical SMILES for 2-[3-(4-chlorophenyl)-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]ethanol is OCCN1N=C2c3ccccc3CCC2C1c1ccc(Cl)cc1.
What is the InChIKey of 2-[3-(4-chlorophenyl)-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]ethanol?
The InChIKey is GLAJGQFXXUYJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O/c20-15-8-5-14(6-9-15)19-17-10-7-13-3-1-2-4-16(13)18(17)21-22(19)11-12-23/h1-6,8-9,17,19,23H,7,10-12H2.
What are the key properties of 2-[3-(4-chlorophenyl)-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]ethanol?
2-[3-(4-chlorophenyl)-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]ethanol has a molecular weight of 326.83 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]ethanol is sourced from PubChem (CID 23909376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).