(2-bromo-4-methoxyphenyl)-(3,4-dimethoxyphenyl)methanone

C16H15BrO4 — CID 60785933

IUPAC(2-bromo-4-methoxyphenyl)-(3,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(OC)c(OC)c2)c(Br)c1
InChIInChI=1S/C16H15BrO4/c1-19-11-5-6-12(13(17)9-11)16(18)10-4-7-14(20-2)15(8-10)21-3/h4-9H,1-3H3
InChIKeyPUTCEBPNLSULLD-UHFFFAOYSA-N
MW351.20 g/mol
LogP3.71
Rot. Bonds5

About (2-bromo-4-methoxyphenyl)-(3,4-dimethoxyphenyl)methanone

(2-bromo-4-methoxyphenyl)-(3,4-dimethoxyphenyl)methanone (PubChem CID 60785933) has the molecular formula C16H15BrO4 and a molecular weight of 351.20 g/mol. Its IUPAC name is (2-bromo-4-methoxyphenyl)-(3,4-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name(2-bromo-4-methoxyphenyl)-(3,4-dimethoxyphenyl)methanone
PubChem CID60785933
Molecular FormulaC16H15BrO4
Molecular Weight351.20 g/mol
Exact Mass350.02
IUPAC Name(2-bromo-4-methoxyphenyl)-(3,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(OC)c(OC)c2)c(Br)c1
InChIInChI=1S/C16H15BrO4/c1-19-11-5-6-12(13(17)9-11)16(18)10-4-7-14(20-2)15(8-10)21-3/h4-9H,1-3H3
InChIKeyPUTCEBPNLSULLD-UHFFFAOYSA-N
XLogP3.71
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-methoxyphenyl)-(3,4-dimethoxyphenyl)methanone?
The IUPAC name of (2-bromo-4-methoxyphenyl)-(3,4-dimethoxyphenyl)methanone (CID 60785933) is (2-bromo-4-methoxyphenyl)-(3,4-dimethoxyphenyl)methanone.
What is the SMILES notation for (2-bromo-4-methoxyphenyl)-(3,4-dimethoxyphenyl)methanone?
The canonical SMILES for (2-bromo-4-methoxyphenyl)-(3,4-dimethoxyphenyl)methanone is COc1ccc(C(=O)c2ccc(OC)c(OC)c2)c(Br)c1.
What is the InChIKey of (2-bromo-4-methoxyphenyl)-(3,4-dimethoxyphenyl)methanone?
The InChIKey is PUTCEBPNLSULLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO4/c1-19-11-5-6-12(13(17)9-11)16(18)10-4-7-14(20-2)15(8-10)21-3/h4-9H,1-3H3.
What are the key properties of (2-bromo-4-methoxyphenyl)-(3,4-dimethoxyphenyl)methanone?
(2-bromo-4-methoxyphenyl)-(3,4-dimethoxyphenyl)methanone has a molecular weight of 351.20 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-methoxyphenyl)-(3,4-dimethoxyphenyl)methanone is sourced from PubChem (CID 60785933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).