1-(2-chlorophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol

C17H20ClNO — CID 63465888

IUPAC1-(2-chlorophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol
SMILESCc1cc2c(n1-c1ccccc1Cl)CC(C)(C)CC2O
InChIInChI=1S/C17H20ClNO/c1-11-8-12-15(9-17(2,3)10-16(12)20)19(11)14-7-5-4-6-13(14)18/h4-8,16,20H,9-10H2,1-3H3
InChIKeyZCDMUFQGMLWILD-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.44
Rot. Bonds1

About 1-(2-chlorophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol

1-(2-chlorophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol (PubChem CID 63465888) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol
PubChem CID63465888
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name1-(2-chlorophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol
SMILESCc1cc2c(n1-c1ccccc1Cl)CC(C)(C)CC2O
InChIInChI=1S/C17H20ClNO/c1-11-8-12-15(9-17(2,3)10-16(12)20)19(11)14-7-5-4-6-13(14)18/h4-8,16,20H,9-10H2,1-3H3
InChIKeyZCDMUFQGMLWILD-UHFFFAOYSA-N
XLogP4.44
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol?
The IUPAC name of 1-(2-chlorophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol (CID 63465888) is 1-(2-chlorophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol.
What is the SMILES notation for 1-(2-chlorophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol?
The canonical SMILES for 1-(2-chlorophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol is Cc1cc2c(n1-c1ccccc1Cl)CC(C)(C)CC2O.
What is the InChIKey of 1-(2-chlorophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol?
The InChIKey is ZCDMUFQGMLWILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-11-8-12-15(9-17(2,3)10-16(12)20)19(11)14-7-5-4-6-13(14)18/h4-8,16,20H,9-10H2,1-3H3.
What are the key properties of 1-(2-chlorophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol?
1-(2-chlorophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol has a molecular weight of 289.81 g/mol, XLogP of 4.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol is sourced from PubChem (CID 63465888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).