1-(3-chloro-5-fluorophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol

C17H19ClFNO — CID 107370388

IUPAC1-(3-chloro-5-fluorophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol
SMILESCc1cc2c(n1-c1cc(F)cc(Cl)c1)CC(C)(C)CC2O
InChIInChI=1S/C17H19ClFNO/c1-10-4-14-15(8-17(2,3)9-16(14)21)20(10)13-6-11(18)5-12(19)7-13/h4-7,16,21H,8-9H2,1-3H3
InChIKeyUIGKLUQMZVDZBC-UHFFFAOYSA-N
MW307.80 g/mol
LogP4.58
Rot. Bonds1

About 1-(3-chloro-5-fluorophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol

1-(3-chloro-5-fluorophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol (PubChem CID 107370388) has the molecular formula C17H19ClFNO and a molecular weight of 307.80 g/mol. Its IUPAC name is 1-(3-chloro-5-fluorophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol.

Molecular Properties

Compound Name1-(3-chloro-5-fluorophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol
PubChem CID107370388
Molecular FormulaC17H19ClFNO
Molecular Weight307.80 g/mol
Exact Mass307.11
IUPAC Name1-(3-chloro-5-fluorophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol
SMILESCc1cc2c(n1-c1cc(F)cc(Cl)c1)CC(C)(C)CC2O
InChIInChI=1S/C17H19ClFNO/c1-10-4-14-15(8-17(2,3)9-16(14)21)20(10)13-6-11(18)5-12(19)7-13/h4-7,16,21H,8-9H2,1-3H3
InChIKeyUIGKLUQMZVDZBC-UHFFFAOYSA-N
XLogP4.58
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 54.58
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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Related Compounds

1-(2-chlorophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol
CID 63465888
2,6,6-trimethyl-1-(5-methyl-3-pyridinyl)-5,7-dihydro-4H-indol-4-ol
CID 107586552
1-(2,2-difluoroethyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol
CID 115408512
1-(2,5-dimethylphenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol
CID 63464982
1-cyclooctyl-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol
CID 63466063
2,6,6-trimethyl-1-pyridazin-3-yl-5,7-dihydro-4H-indol-4-ol
CID 116787763
2,6,6-trimethyl-1-(2-pyrrolidin-1-ylethyl)-5,7-dihydro-4H-indol-4-ol
CID 62640256
1-(2-hydroxycyclohexyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol
CID 62359810
2-(4-hydroxy-2,6,6-trimethyl-5,7-dihydro-4H-indol-1-yl)-3-methylbutanamide
CID 106347058
4-(4-hydroxy-2,6,6-trimethyl-5,7-dihydro-4H-indol-1-yl)pyrrolidin-2-one
CID 106188086
2,6,6-trimethyl-1-pent-3-ynyl-5,7-dihydro-4H-indol-4-ol
CID 116645351
2,6,6-trimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-5,7-dihydro-4H-indol-4-ol
CID 63826731

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-fluorophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol?
The IUPAC name of 1-(3-chloro-5-fluorophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol (CID 107370388) is 1-(3-chloro-5-fluorophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol.
What is the SMILES notation for 1-(3-chloro-5-fluorophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol?
The canonical SMILES for 1-(3-chloro-5-fluorophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol is Cc1cc2c(n1-c1cc(F)cc(Cl)c1)CC(C)(C)CC2O.
What is the InChIKey of 1-(3-chloro-5-fluorophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol?
The InChIKey is UIGKLUQMZVDZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFNO/c1-10-4-14-15(8-17(2,3)9-16(14)21)20(10)13-6-11(18)5-12(19)7-13/h4-7,16,21H,8-9H2,1-3H3.
What are the key properties of 1-(3-chloro-5-fluorophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol?
1-(3-chloro-5-fluorophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol has a molecular weight of 307.80 g/mol, XLogP of 4.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-fluorophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol is sourced from PubChem (CID 107370388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).