1-(3-iodophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol

C16H18INO — CID 63464993

IUPAC1-(3-iodophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol
SMILESCC1(C)Cc2c(ccn2-c2cccc(I)c2)C(O)C1
InChIInChI=1S/C16H18INO/c1-16(2)9-14-13(15(19)10-16)6-7-18(14)12-5-3-4-11(17)8-12/h3-8,15,19H,9-10H2,1-2H3
InChIKeyBFCXEHNMXBJESM-UHFFFAOYSA-N
MW367.23 g/mol
LogP4.09
Rot. Bonds1

About 1-(3-iodophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol

1-(3-iodophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol (PubChem CID 63464993) has the molecular formula C16H18INO and a molecular weight of 367.23 g/mol. Its IUPAC name is 1-(3-iodophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol.

Molecular Properties

Compound Name1-(3-iodophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol
PubChem CID63464993
Molecular FormulaC16H18INO
Molecular Weight367.23 g/mol
Exact Mass367.04
IUPAC Name1-(3-iodophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol
SMILESCC1(C)Cc2c(ccn2-c2cccc(I)c2)C(O)C1
InChIInChI=1S/C16H18INO/c1-16(2)9-14-13(15(19)10-16)6-7-18(14)12-5-3-4-11(17)8-12/h3-8,15,19H,9-10H2,1-2H3
InChIKeyBFCXEHNMXBJESM-UHFFFAOYSA-N
XLogP4.09
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.23
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-iodophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol?
The IUPAC name of 1-(3-iodophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol (CID 63464993) is 1-(3-iodophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol.
What is the SMILES notation for 1-(3-iodophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol?
The canonical SMILES for 1-(3-iodophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol is CC1(C)Cc2c(ccn2-c2cccc(I)c2)C(O)C1.
What is the InChIKey of 1-(3-iodophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol?
The InChIKey is BFCXEHNMXBJESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18INO/c1-16(2)9-14-13(15(19)10-16)6-7-18(14)12-5-3-4-11(17)8-12/h3-8,15,19H,9-10H2,1-2H3.
What are the key properties of 1-(3-iodophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol?
1-(3-iodophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol has a molecular weight of 367.23 g/mol, XLogP of 4.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-iodophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol is sourced from PubChem (CID 63464993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).