(2,3-dichloro-4-methoxyphenyl)-(2-methoxyphenyl)methanone

C15H12Cl2O3 — CID 14012570

IUPAC(2,3-dichloro-4-methoxyphenyl)-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)c1ccc(OC)c(Cl)c1Cl
InChIInChI=1S/C15H12Cl2O3/c1-19-11-6-4-3-5-9(11)15(18)10-7-8-12(20-2)14(17)13(10)16/h3-8H,1-2H3
InChIKeyYOAPUBJMFGAZOU-UHFFFAOYSA-N
MW311.16 g/mol
LogP4.24
Rot. Bonds4

About (2,3-dichloro-4-methoxyphenyl)-(2-methoxyphenyl)methanone

(2,3-dichloro-4-methoxyphenyl)-(2-methoxyphenyl)methanone (PubChem CID 14012570) has the molecular formula C15H12Cl2O3 and a molecular weight of 311.16 g/mol. Its IUPAC name is (2,3-dichloro-4-methoxyphenyl)-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name(2,3-dichloro-4-methoxyphenyl)-(2-methoxyphenyl)methanone
PubChem CID14012570
Molecular FormulaC15H12Cl2O3
Molecular Weight311.16 g/mol
Exact Mass310.02
IUPAC Name(2,3-dichloro-4-methoxyphenyl)-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)c1ccc(OC)c(Cl)c1Cl
InChIInChI=1S/C15H12Cl2O3/c1-19-11-6-4-3-5-9(11)15(18)10-7-8-12(20-2)14(17)13(10)16/h3-8H,1-2H3
InChIKeyYOAPUBJMFGAZOU-UHFFFAOYSA-N
XLogP4.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.16
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,3-dichloro-4-methoxyphenyl)-(2-methoxyphenyl)methanone?
The IUPAC name of (2,3-dichloro-4-methoxyphenyl)-(2-methoxyphenyl)methanone (CID 14012570) is (2,3-dichloro-4-methoxyphenyl)-(2-methoxyphenyl)methanone.
What is the SMILES notation for (2,3-dichloro-4-methoxyphenyl)-(2-methoxyphenyl)methanone?
The canonical SMILES for (2,3-dichloro-4-methoxyphenyl)-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)c1ccc(OC)c(Cl)c1Cl.
What is the InChIKey of (2,3-dichloro-4-methoxyphenyl)-(2-methoxyphenyl)methanone?
The InChIKey is YOAPUBJMFGAZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O3/c1-19-11-6-4-3-5-9(11)15(18)10-7-8-12(20-2)14(17)13(10)16/h3-8H,1-2H3.
What are the key properties of (2,3-dichloro-4-methoxyphenyl)-(2-methoxyphenyl)methanone?
(2,3-dichloro-4-methoxyphenyl)-(2-methoxyphenyl)methanone has a molecular weight of 311.16 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichloro-4-methoxyphenyl)-(2-methoxyphenyl)methanone is sourced from PubChem (CID 14012570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).