6,7-dichloro-5-methoxy-2-phenyl-2,3-dihydroinden-1-one

C16H12Cl2O2 — CID 10990444

IUPAC6,7-dichloro-5-methoxy-2-phenyl-2,3-dihydroinden-1-one
SMILESCOc1cc2c(c(Cl)c1Cl)C(=O)C(c1ccccc1)C2
InChIInChI=1S/C16H12Cl2O2/c1-20-12-8-10-7-11(9-5-3-2-4-6-9)16(19)13(10)15(18)14(12)17/h2-6,8,11H,7H2,1H3
InChIKeyXCQVCKFRFDYRJG-UHFFFAOYSA-N
MW307.18 g/mol
LogP4.52
Rot. Bonds2

About 6,7-dichloro-5-methoxy-2-phenyl-2,3-dihydroinden-1-one

6,7-dichloro-5-methoxy-2-phenyl-2,3-dihydroinden-1-one (PubChem CID 10990444) has the molecular formula C16H12Cl2O2 and a molecular weight of 307.18 g/mol. Its IUPAC name is 6,7-dichloro-5-methoxy-2-phenyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name6,7-dichloro-5-methoxy-2-phenyl-2,3-dihydroinden-1-one
PubChem CID10990444
Molecular FormulaC16H12Cl2O2
Molecular Weight307.18 g/mol
Exact Mass306.02
IUPAC Name6,7-dichloro-5-methoxy-2-phenyl-2,3-dihydroinden-1-one
SMILESCOc1cc2c(c(Cl)c1Cl)C(=O)C(c1ccccc1)C2
InChIInChI=1S/C16H12Cl2O2/c1-20-12-8-10-7-11(9-5-3-2-4-6-9)16(19)13(10)15(18)14(12)17/h2-6,8,11H,7H2,1H3
InChIKeyXCQVCKFRFDYRJG-UHFFFAOYSA-N
XLogP4.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.18
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-5-methoxy-2-phenyl-2,3-dihydroinden-1-one?
The IUPAC name of 6,7-dichloro-5-methoxy-2-phenyl-2,3-dihydroinden-1-one (CID 10990444) is 6,7-dichloro-5-methoxy-2-phenyl-2,3-dihydroinden-1-one.
What is the SMILES notation for 6,7-dichloro-5-methoxy-2-phenyl-2,3-dihydroinden-1-one?
The canonical SMILES for 6,7-dichloro-5-methoxy-2-phenyl-2,3-dihydroinden-1-one is COc1cc2c(c(Cl)c1Cl)C(=O)C(c1ccccc1)C2.
What is the InChIKey of 6,7-dichloro-5-methoxy-2-phenyl-2,3-dihydroinden-1-one?
The InChIKey is XCQVCKFRFDYRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2O2/c1-20-12-8-10-7-11(9-5-3-2-4-6-9)16(19)13(10)15(18)14(12)17/h2-6,8,11H,7H2,1H3.
What are the key properties of 6,7-dichloro-5-methoxy-2-phenyl-2,3-dihydroinden-1-one?
6,7-dichloro-5-methoxy-2-phenyl-2,3-dihydroinden-1-one has a molecular weight of 307.18 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-5-methoxy-2-phenyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 10990444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).