5-(4-hydroxy-3,5-dimethylphenyl)-1H-inden-1-ol

C17H16O2 — CID 130219609

IUPAC5-(4-hydroxy-3,5-dimethylphenyl)-1H-inden-1-ol
SMILESCc1cc(-c2ccc3c(c2)C=CC3O)cc(C)c1O
InChIInChI=1S/C17H16O2/c1-10-7-14(8-11(2)17(10)19)12-3-5-15-13(9-12)4-6-16(15)18/h3-9,16,18-19H,1-2H3
InChIKeyHHLPUKXUZYRJRJ-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.74
Rot. Bonds1

About 5-(4-hydroxy-3,5-dimethylphenyl)-1H-inden-1-ol

5-(4-hydroxy-3,5-dimethylphenyl)-1H-inden-1-ol (PubChem CID 130219609) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 5-(4-hydroxy-3,5-dimethylphenyl)-1H-inden-1-ol.

Molecular Properties

Compound Name5-(4-hydroxy-3,5-dimethylphenyl)-1H-inden-1-ol
PubChem CID130219609
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name5-(4-hydroxy-3,5-dimethylphenyl)-1H-inden-1-ol
SMILESCc1cc(-c2ccc3c(c2)C=CC3O)cc(C)c1O
InChIInChI=1S/C17H16O2/c1-10-7-14(8-11(2)17(10)19)12-3-5-15-13(9-12)4-6-16(15)18/h3-9,16,18-19H,1-2H3
InChIKeyHHLPUKXUZYRJRJ-UHFFFAOYSA-N
XLogP3.74
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxy-3,5-dimethylphenyl)-1H-inden-1-ol?
The IUPAC name of 5-(4-hydroxy-3,5-dimethylphenyl)-1H-inden-1-ol (CID 130219609) is 5-(4-hydroxy-3,5-dimethylphenyl)-1H-inden-1-ol.
What is the SMILES notation for 5-(4-hydroxy-3,5-dimethylphenyl)-1H-inden-1-ol?
The canonical SMILES for 5-(4-hydroxy-3,5-dimethylphenyl)-1H-inden-1-ol is Cc1cc(-c2ccc3c(c2)C=CC3O)cc(C)c1O.
What is the InChIKey of 5-(4-hydroxy-3,5-dimethylphenyl)-1H-inden-1-ol?
The InChIKey is HHLPUKXUZYRJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c1-10-7-14(8-11(2)17(10)19)12-3-5-15-13(9-12)4-6-16(15)18/h3-9,16,18-19H,1-2H3.
What are the key properties of 5-(4-hydroxy-3,5-dimethylphenyl)-1H-inden-1-ol?
5-(4-hydroxy-3,5-dimethylphenyl)-1H-inden-1-ol has a molecular weight of 252.31 g/mol, XLogP of 3.74, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxy-3,5-dimethylphenyl)-1H-inden-1-ol is sourced from PubChem (CID 130219609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).