1-iodo-7-methyl-2,3-dihydro-1H-inden-4-ol

C10H11IO — CID 174891227

IUPAC1-iodo-7-methyl-2,3-dihydro-1H-inden-4-ol
SMILESCc1ccc(O)c2c1C(I)CC2
InChIInChI=1S/C10H11IO/c1-6-2-5-9(12)7-3-4-8(11)10(6)7/h2,5,8,12H,3-4H2,1H3
InChIKeyPRQLFRBZHCCJHM-UHFFFAOYSA-N
MW274.10 g/mol
LogP3.12
Rot. Bonds

About 1-iodo-7-methyl-2,3-dihydro-1H-inden-4-ol

1-iodo-7-methyl-2,3-dihydro-1H-inden-4-ol (PubChem CID 174891227) has the molecular formula C10H11IO and a molecular weight of 274.10 g/mol. Its IUPAC name is 1-iodo-7-methyl-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name1-iodo-7-methyl-2,3-dihydro-1H-inden-4-ol
PubChem CID174891227
Molecular FormulaC10H11IO
Molecular Weight274.10 g/mol
Exact Mass273.99
IUPAC Name1-iodo-7-methyl-2,3-dihydro-1H-inden-4-ol
SMILESCc1ccc(O)c2c1C(I)CC2
InChIInChI=1S/C10H11IO/c1-6-2-5-9(12)7-3-4-8(11)10(6)7/h2,5,8,12H,3-4H2,1H3
InChIKeyPRQLFRBZHCCJHM-UHFFFAOYSA-N
XLogP3.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.10
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-iodo-7-methyl-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 1-iodo-7-methyl-2,3-dihydro-1H-inden-4-ol (CID 174891227) is 1-iodo-7-methyl-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 1-iodo-7-methyl-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 1-iodo-7-methyl-2,3-dihydro-1H-inden-4-ol is Cc1ccc(O)c2c1C(I)CC2.
What is the InChIKey of 1-iodo-7-methyl-2,3-dihydro-1H-inden-4-ol?
The InChIKey is PRQLFRBZHCCJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IO/c1-6-2-5-9(12)7-3-4-8(11)10(6)7/h2,5,8,12H,3-4H2,1H3.
What are the key properties of 1-iodo-7-methyl-2,3-dihydro-1H-inden-4-ol?
1-iodo-7-methyl-2,3-dihydro-1H-inden-4-ol has a molecular weight of 274.10 g/mol, XLogP of 3.12, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-7-methyl-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 174891227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).