2-[(2,5-dichlorophenyl)methyl]-2,3-dihydroinden-1-one

C16H12Cl2O — CID 65316693

IUPAC2-[(2,5-dichlorophenyl)methyl]-2,3-dihydroinden-1-one
SMILESO=C1c2ccccc2CC1Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H12Cl2O/c17-13-5-6-15(18)11(9-13)8-12-7-10-3-1-2-4-14(10)16(12)19/h1-6,9,12H,7-8H2
InChIKeyDXVVCULLNXBFDB-UHFFFAOYSA-N
MW291.18 g/mol
LogP4.59
Rot. Bonds2

About 2-[(2,5-dichlorophenyl)methyl]-2,3-dihydroinden-1-one

2-[(2,5-dichlorophenyl)methyl]-2,3-dihydroinden-1-one (PubChem CID 65316693) has the molecular formula C16H12Cl2O and a molecular weight of 291.18 g/mol. Its IUPAC name is 2-[(2,5-dichlorophenyl)methyl]-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name2-[(2,5-dichlorophenyl)methyl]-2,3-dihydroinden-1-one
PubChem CID65316693
Molecular FormulaC16H12Cl2O
Molecular Weight291.18 g/mol
Exact Mass290.03
IUPAC Name2-[(2,5-dichlorophenyl)methyl]-2,3-dihydroinden-1-one
SMILESO=C1c2ccccc2CC1Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H12Cl2O/c17-13-5-6-15(18)11(9-13)8-12-7-10-3-1-2-4-14(10)16(12)19/h1-6,9,12H,7-8H2
InChIKeyDXVVCULLNXBFDB-UHFFFAOYSA-N
XLogP4.59
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.18
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichlorophenyl)methyl]-2,3-dihydroinden-1-one?
The IUPAC name of 2-[(2,5-dichlorophenyl)methyl]-2,3-dihydroinden-1-one (CID 65316693) is 2-[(2,5-dichlorophenyl)methyl]-2,3-dihydroinden-1-one.
What is the SMILES notation for 2-[(2,5-dichlorophenyl)methyl]-2,3-dihydroinden-1-one?
The canonical SMILES for 2-[(2,5-dichlorophenyl)methyl]-2,3-dihydroinden-1-one is O=C1c2ccccc2CC1Cc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[(2,5-dichlorophenyl)methyl]-2,3-dihydroinden-1-one?
The InChIKey is DXVVCULLNXBFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2O/c17-13-5-6-15(18)11(9-13)8-12-7-10-3-1-2-4-14(10)16(12)19/h1-6,9,12H,7-8H2.
What are the key properties of 2-[(2,5-dichlorophenyl)methyl]-2,3-dihydroinden-1-one?
2-[(2,5-dichlorophenyl)methyl]-2,3-dihydroinden-1-one has a molecular weight of 291.18 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichlorophenyl)methyl]-2,3-dihydroinden-1-one is sourced from PubChem (CID 65316693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).