2-benzyl-6-hydroxy-2,3-dihydroinden-1-one

C16H14O2 — CID 19600781

IUPAC2-benzyl-6-hydroxy-2,3-dihydroinden-1-one
SMILESO=C1c2cc(O)ccc2CC1Cc1ccccc1
InChIInChI=1S/C16H14O2/c17-14-7-6-12-9-13(16(18)15(12)10-14)8-11-4-2-1-3-5-11/h1-7,10,13,17H,8-9H2
InChIKeyXVSGWJBHXCFKGN-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.99
Rot. Bonds2

About 2-benzyl-6-hydroxy-2,3-dihydroinden-1-one

2-benzyl-6-hydroxy-2,3-dihydroinden-1-one (PubChem CID 19600781) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-benzyl-6-hydroxy-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name2-benzyl-6-hydroxy-2,3-dihydroinden-1-one
PubChem CID19600781
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name2-benzyl-6-hydroxy-2,3-dihydroinden-1-one
SMILESO=C1c2cc(O)ccc2CC1Cc1ccccc1
InChIInChI=1S/C16H14O2/c17-14-7-6-12-9-13(16(18)15(12)10-14)8-11-4-2-1-3-5-11/h1-7,10,13,17H,8-9H2
InChIKeyXVSGWJBHXCFKGN-UHFFFAOYSA-N
XLogP2.99
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-hydroxy-2,3-dihydroinden-1-one?
The IUPAC name of 2-benzyl-6-hydroxy-2,3-dihydroinden-1-one (CID 19600781) is 2-benzyl-6-hydroxy-2,3-dihydroinden-1-one.
What is the SMILES notation for 2-benzyl-6-hydroxy-2,3-dihydroinden-1-one?
The canonical SMILES for 2-benzyl-6-hydroxy-2,3-dihydroinden-1-one is O=C1c2cc(O)ccc2CC1Cc1ccccc1.
What is the InChIKey of 2-benzyl-6-hydroxy-2,3-dihydroinden-1-one?
The InChIKey is XVSGWJBHXCFKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2/c17-14-7-6-12-9-13(16(18)15(12)10-14)8-11-4-2-1-3-5-11/h1-7,10,13,17H,8-9H2.
What are the key properties of 2-benzyl-6-hydroxy-2,3-dihydroinden-1-one?
2-benzyl-6-hydroxy-2,3-dihydroinden-1-one has a molecular weight of 238.29 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-hydroxy-2,3-dihydroinden-1-one is sourced from PubChem (CID 19600781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).