(4-bromo-2,5-dimethoxyphenyl)-phenylmethanone

C15H13BrO3 — CID 67466544

IUPAC(4-bromo-2,5-dimethoxyphenyl)-phenylmethanone
SMILESCOc1cc(C(=O)c2ccccc2)c(OC)cc1Br
InChIInChI=1S/C15H13BrO3/c1-18-13-9-12(16)14(19-2)8-11(13)15(17)10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKeyWOGAIDMSZKBXBZ-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.70
Rot. Bonds4

About (4-bromo-2,5-dimethoxyphenyl)-phenylmethanone

(4-bromo-2,5-dimethoxyphenyl)-phenylmethanone (PubChem CID 67466544) has the molecular formula C15H13BrO3 and a molecular weight of 321.17 g/mol. Its IUPAC name is (4-bromo-2,5-dimethoxyphenyl)-phenylmethanone.

Molecular Properties

Compound Name(4-bromo-2,5-dimethoxyphenyl)-phenylmethanone
PubChem CID67466544
Molecular FormulaC15H13BrO3
Molecular Weight321.17 g/mol
Exact Mass320.00
IUPAC Name(4-bromo-2,5-dimethoxyphenyl)-phenylmethanone
SMILESCOc1cc(C(=O)c2ccccc2)c(OC)cc1Br
InChIInChI=1S/C15H13BrO3/c1-18-13-9-12(16)14(19-2)8-11(13)15(17)10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKeyWOGAIDMSZKBXBZ-UHFFFAOYSA-N
XLogP3.70
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,5-dimethoxyphenyl)-phenylmethanone?
The IUPAC name of (4-bromo-2,5-dimethoxyphenyl)-phenylmethanone (CID 67466544) is (4-bromo-2,5-dimethoxyphenyl)-phenylmethanone.
What is the SMILES notation for (4-bromo-2,5-dimethoxyphenyl)-phenylmethanone?
The canonical SMILES for (4-bromo-2,5-dimethoxyphenyl)-phenylmethanone is COc1cc(C(=O)c2ccccc2)c(OC)cc1Br.
What is the InChIKey of (4-bromo-2,5-dimethoxyphenyl)-phenylmethanone?
The InChIKey is WOGAIDMSZKBXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrO3/c1-18-13-9-12(16)14(19-2)8-11(13)15(17)10-6-4-3-5-7-10/h3-9H,1-2H3.
What are the key properties of (4-bromo-2,5-dimethoxyphenyl)-phenylmethanone?
(4-bromo-2,5-dimethoxyphenyl)-phenylmethanone has a molecular weight of 321.17 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2,5-dimethoxyphenyl)-phenylmethanone is sourced from PubChem (CID 67466544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).