7-hydroxy-2,4-dimethyl-3-phenyl-2,3-dihydroinden-1-one

C17H16O2 — CID 14834731

IUPAC7-hydroxy-2,4-dimethyl-3-phenyl-2,3-dihydroinden-1-one
SMILESCc1ccc(O)c2c1C(c1ccccc1)C(C)C2=O
InChIInChI=1S/C17H16O2/c1-10-8-9-13(18)16-14(10)15(11(2)17(16)19)12-6-4-3-5-7-12/h3-9,11,15,18H,1-2H3
InChIKeyZHAGMKKYMAVUCM-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.66
Rot. Bonds1

About 7-hydroxy-2,4-dimethyl-3-phenyl-2,3-dihydroinden-1-one

7-hydroxy-2,4-dimethyl-3-phenyl-2,3-dihydroinden-1-one (PubChem CID 14834731) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 7-hydroxy-2,4-dimethyl-3-phenyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name7-hydroxy-2,4-dimethyl-3-phenyl-2,3-dihydroinden-1-one
PubChem CID14834731
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name7-hydroxy-2,4-dimethyl-3-phenyl-2,3-dihydroinden-1-one
SMILESCc1ccc(O)c2c1C(c1ccccc1)C(C)C2=O
InChIInChI=1S/C17H16O2/c1-10-8-9-13(18)16-14(10)15(11(2)17(16)19)12-6-4-3-5-7-12/h3-9,11,15,18H,1-2H3
InChIKeyZHAGMKKYMAVUCM-UHFFFAOYSA-N
XLogP3.66
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2,4-dimethyl-3-phenyl-2,3-dihydroinden-1-one?
The IUPAC name of 7-hydroxy-2,4-dimethyl-3-phenyl-2,3-dihydroinden-1-one (CID 14834731) is 7-hydroxy-2,4-dimethyl-3-phenyl-2,3-dihydroinden-1-one.
What is the SMILES notation for 7-hydroxy-2,4-dimethyl-3-phenyl-2,3-dihydroinden-1-one?
The canonical SMILES for 7-hydroxy-2,4-dimethyl-3-phenyl-2,3-dihydroinden-1-one is Cc1ccc(O)c2c1C(c1ccccc1)C(C)C2=O.
What is the InChIKey of 7-hydroxy-2,4-dimethyl-3-phenyl-2,3-dihydroinden-1-one?
The InChIKey is ZHAGMKKYMAVUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c1-10-8-9-13(18)16-14(10)15(11(2)17(16)19)12-6-4-3-5-7-12/h3-9,11,15,18H,1-2H3.
What are the key properties of 7-hydroxy-2,4-dimethyl-3-phenyl-2,3-dihydroinden-1-one?
7-hydroxy-2,4-dimethyl-3-phenyl-2,3-dihydroinden-1-one has a molecular weight of 252.31 g/mol, XLogP of 3.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2,4-dimethyl-3-phenyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 14834731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).