1-(2-chloro-4-iodophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol

C16H17ClINO — CID 107605985

IUPAC1-(2-chloro-4-iodophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol
SMILESCC1(C)Cc2c(ccn2-c2ccc(I)cc2Cl)C(O)C1
InChIInChI=1S/C16H17ClINO/c1-16(2)8-14-11(15(20)9-16)5-6-19(14)13-4-3-10(18)7-12(13)17/h3-7,15,20H,8-9H2,1-2H3
InChIKeyKHAPMMGCQGTRBY-UHFFFAOYSA-N
MW401.68 g/mol
LogP4.74
Rot. Bonds1

About 1-(2-chloro-4-iodophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol

1-(2-chloro-4-iodophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol (PubChem CID 107605985) has the molecular formula C16H17ClINO and a molecular weight of 401.68 g/mol. Its IUPAC name is 1-(2-chloro-4-iodophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol.

Molecular Properties

Compound Name1-(2-chloro-4-iodophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol
PubChem CID107605985
Molecular FormulaC16H17ClINO
Molecular Weight401.68 g/mol
Exact Mass401.00
IUPAC Name1-(2-chloro-4-iodophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol
SMILESCC1(C)Cc2c(ccn2-c2ccc(I)cc2Cl)C(O)C1
InChIInChI=1S/C16H17ClINO/c1-16(2)8-14-11(15(20)9-16)5-6-19(14)13-4-3-10(18)7-12(13)17/h3-7,15,20H,8-9H2,1-2H3
InChIKeyKHAPMMGCQGTRBY-UHFFFAOYSA-N
XLogP4.74
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.68
LogP ≤ 54.74
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-(2-chloro-4-iodophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol?
The IUPAC name of 1-(2-chloro-4-iodophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol (CID 107605985) is 1-(2-chloro-4-iodophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol.
What is the SMILES notation for 1-(2-chloro-4-iodophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol?
The canonical SMILES for 1-(2-chloro-4-iodophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol is CC1(C)Cc2c(ccn2-c2ccc(I)cc2Cl)C(O)C1.
What is the InChIKey of 1-(2-chloro-4-iodophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol?
The InChIKey is KHAPMMGCQGTRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClINO/c1-16(2)8-14-11(15(20)9-16)5-6-19(14)13-4-3-10(18)7-12(13)17/h3-7,15,20H,8-9H2,1-2H3.
What are the key properties of 1-(2-chloro-4-iodophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol?
1-(2-chloro-4-iodophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol has a molecular weight of 401.68 g/mol, XLogP of 4.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-iodophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol is sourced from PubChem (CID 107605985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).