1-(2-hydroxy-1,3-dihydroinden-2-yl)-1,3-dihydroinden-2-one

C18H16O2 — CID 583454

IUPAC1-(2-hydroxy-1,3-dihydroinden-2-yl)-1,3-dihydroinden-2-one
SMILESO=C1Cc2ccccc2C1C1(O)Cc2ccccc2C1
InChIInChI=1S/C18H16O2/c19-16-9-12-5-3-4-8-15(12)17(16)18(20)10-13-6-1-2-7-14(13)11-18/h1-8,17,20H,9-11H2
InChIKeyWTJVMAODSACLMV-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.43
Rot. Bonds1

About 1-(2-hydroxy-1,3-dihydroinden-2-yl)-1,3-dihydroinden-2-one

1-(2-hydroxy-1,3-dihydroinden-2-yl)-1,3-dihydroinden-2-one (PubChem CID 583454) has the molecular formula C18H16O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-(2-hydroxy-1,3-dihydroinden-2-yl)-1,3-dihydroinden-2-one.

Molecular Properties

Compound Name1-(2-hydroxy-1,3-dihydroinden-2-yl)-1,3-dihydroinden-2-one
PubChem CID583454
Molecular FormulaC18H16O2
Molecular Weight264.32 g/mol
Exact Mass264.12
IUPAC Name1-(2-hydroxy-1,3-dihydroinden-2-yl)-1,3-dihydroinden-2-one
SMILESO=C1Cc2ccccc2C1C1(O)Cc2ccccc2C1
InChIInChI=1S/C18H16O2/c19-16-9-12-5-3-4-8-15(12)17(16)18(20)10-13-6-1-2-7-14(13)11-18/h1-8,17,20H,9-11H2
InChIKeyWTJVMAODSACLMV-UHFFFAOYSA-N
XLogP2.43
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-1,3-dihydroinden-2-yl)-1,3-dihydroinden-2-one?
The IUPAC name of 1-(2-hydroxy-1,3-dihydroinden-2-yl)-1,3-dihydroinden-2-one (CID 583454) is 1-(2-hydroxy-1,3-dihydroinden-2-yl)-1,3-dihydroinden-2-one.
What is the SMILES notation for 1-(2-hydroxy-1,3-dihydroinden-2-yl)-1,3-dihydroinden-2-one?
The canonical SMILES for 1-(2-hydroxy-1,3-dihydroinden-2-yl)-1,3-dihydroinden-2-one is O=C1Cc2ccccc2C1C1(O)Cc2ccccc2C1.
What is the InChIKey of 1-(2-hydroxy-1,3-dihydroinden-2-yl)-1,3-dihydroinden-2-one?
The InChIKey is WTJVMAODSACLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O2/c19-16-9-12-5-3-4-8-15(12)17(16)18(20)10-13-6-1-2-7-14(13)11-18/h1-8,17,20H,9-11H2.
What are the key properties of 1-(2-hydroxy-1,3-dihydroinden-2-yl)-1,3-dihydroinden-2-one?
1-(2-hydroxy-1,3-dihydroinden-2-yl)-1,3-dihydroinden-2-one has a molecular weight of 264.32 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-1,3-dihydroinden-2-yl)-1,3-dihydroinden-2-one is sourced from PubChem (CID 583454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).