(2R)-6,7-dichloro-5-methoxy-2-methyl-2-phenyl-3H-inden-1-one

C17H14Cl2O2 — CID 129384226

IUPAC(2R)-6,7-dichloro-5-methoxy-2-methyl-2-phenyl-3H-inden-1-one
SMILESCOc1cc2c(c(Cl)c1Cl)C(=O)[C@@](C)(c1ccccc1)C2
InChIInChI=1S/C17H14Cl2O2/c1-17(11-6-4-3-5-7-11)9-10-8-12(21-2)14(18)15(19)13(10)16(17)20/h3-8H,9H2,1-2H3/t17-/m1/s1
InChIKeyARIBNFLJQYPMIT-QGZVFWFLSA-N
MW321.20 g/mol
LogP4.70
Rot. Bonds2

About (2R)-6,7-dichloro-5-methoxy-2-methyl-2-phenyl-3H-inden-1-one

(2R)-6,7-dichloro-5-methoxy-2-methyl-2-phenyl-3H-inden-1-one (PubChem CID 129384226) has the molecular formula C17H14Cl2O2 and a molecular weight of 321.20 g/mol. Its IUPAC name is (2R)-6,7-dichloro-5-methoxy-2-methyl-2-phenyl-3H-inden-1-one.

Molecular Properties

Compound Name(2R)-6,7-dichloro-5-methoxy-2-methyl-2-phenyl-3H-inden-1-one
PubChem CID129384226
Molecular FormulaC17H14Cl2O2
Molecular Weight321.20 g/mol
Exact Mass320.04
IUPAC Name(2R)-6,7-dichloro-5-methoxy-2-methyl-2-phenyl-3H-inden-1-one
SMILESCOc1cc2c(c(Cl)c1Cl)C(=O)[C@@](C)(c1ccccc1)C2
InChIInChI=1S/C17H14Cl2O2/c1-17(11-6-4-3-5-7-11)9-10-8-12(21-2)14(18)15(19)13(10)16(17)20/h3-8H,9H2,1-2H3/t17-/m1/s1
InChIKeyARIBNFLJQYPMIT-QGZVFWFLSA-N
XLogP4.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.20
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-6,7-dichloro-5-methoxy-2-methyl-2-phenyl-3H-inden-1-one?
The IUPAC name of (2R)-6,7-dichloro-5-methoxy-2-methyl-2-phenyl-3H-inden-1-one (CID 129384226) is (2R)-6,7-dichloro-5-methoxy-2-methyl-2-phenyl-3H-inden-1-one.
What is the SMILES notation for (2R)-6,7-dichloro-5-methoxy-2-methyl-2-phenyl-3H-inden-1-one?
The canonical SMILES for (2R)-6,7-dichloro-5-methoxy-2-methyl-2-phenyl-3H-inden-1-one is COc1cc2c(c(Cl)c1Cl)C(=O)[C@@](C)(c1ccccc1)C2.
What is the InChIKey of (2R)-6,7-dichloro-5-methoxy-2-methyl-2-phenyl-3H-inden-1-one?
The InChIKey is ARIBNFLJQYPMIT-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H14Cl2O2/c1-17(11-6-4-3-5-7-11)9-10-8-12(21-2)14(18)15(19)13(10)16(17)20/h3-8H,9H2,1-2H3/t17-/m1/s1.
What are the key properties of (2R)-6,7-dichloro-5-methoxy-2-methyl-2-phenyl-3H-inden-1-one?
(2R)-6,7-dichloro-5-methoxy-2-methyl-2-phenyl-3H-inden-1-one has a molecular weight of 321.20 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6,7-dichloro-5-methoxy-2-methyl-2-phenyl-3H-inden-1-one is sourced from PubChem (CID 129384226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).