(2-bromo-5-methoxyphenyl)-(2-methoxyphenyl)methanone

C15H13BrO3 — CID 105079993

IUPAC(2-bromo-5-methoxyphenyl)-(2-methoxyphenyl)methanone
SMILESCOc1ccc(Br)c(C(=O)c2ccccc2OC)c1
InChIInChI=1S/C15H13BrO3/c1-18-10-7-8-13(16)12(9-10)15(17)11-5-3-4-6-14(11)19-2/h3-9H,1-2H3
InChIKeyMHUDMJYUYYQHPP-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.70
Rot. Bonds4

About (2-bromo-5-methoxyphenyl)-(2-methoxyphenyl)methanone

(2-bromo-5-methoxyphenyl)-(2-methoxyphenyl)methanone (PubChem CID 105079993) has the molecular formula C15H13BrO3 and a molecular weight of 321.17 g/mol. Its IUPAC name is (2-bromo-5-methoxyphenyl)-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name(2-bromo-5-methoxyphenyl)-(2-methoxyphenyl)methanone
PubChem CID105079993
Molecular FormulaC15H13BrO3
Molecular Weight321.17 g/mol
Exact Mass320.00
IUPAC Name(2-bromo-5-methoxyphenyl)-(2-methoxyphenyl)methanone
SMILESCOc1ccc(Br)c(C(=O)c2ccccc2OC)c1
InChIInChI=1S/C15H13BrO3/c1-18-10-7-8-13(16)12(9-10)15(17)11-5-3-4-6-14(11)19-2/h3-9H,1-2H3
InChIKeyMHUDMJYUYYQHPP-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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Related Compounds

(2-bromo-5-methoxyphenyl)-(2-bromophenyl)methanone
CID 138970439
(2-methoxyphenyl) 2-bromo-5-methoxybenzoate
CID 8778433
(2-fluoro-4-methoxyphenyl)-(2-methoxyphenyl)methanone
CID 43561172
(2-chlorophenyl)-(2,5-dimethoxyphenyl)methanone
CID 623894
(2-bromo-5-methoxyphenyl)-(4-bromothiophen-3-yl)methanone
CID 105116061
(2,3-dimethoxyphenyl)-(2,5-dimethoxyphenyl)methanone
CID 69347574
(2-bromo-5-fluorophenyl)-(2-bromo-4-methoxyphenyl)methanone
CID 60788123
(2,5-dimethoxyphenyl)-(2-iodophenyl)methanone
CID 15888023
(2-bromophenyl)-(2-chloro-4-methoxyphenyl)methanone
CID 43561746
(2-bromo-5-propoxyphenyl)-(4-methoxy-2-phenylmethoxyphenyl)methanone
CID 22897761
[2-[2-bis(2-methoxyphenoxy)phosphanyloxybenzoyl]-5-methoxyphenyl] bis(2-methoxyphenyl) phosphite
CID 58931610
(2,5-dimethoxyphenyl)-naphthalen-1-ylmethanone
CID 146006285

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-methoxyphenyl)-(2-methoxyphenyl)methanone?
The IUPAC name of (2-bromo-5-methoxyphenyl)-(2-methoxyphenyl)methanone (CID 105079993) is (2-bromo-5-methoxyphenyl)-(2-methoxyphenyl)methanone.
What is the SMILES notation for (2-bromo-5-methoxyphenyl)-(2-methoxyphenyl)methanone?
The canonical SMILES for (2-bromo-5-methoxyphenyl)-(2-methoxyphenyl)methanone is COc1ccc(Br)c(C(=O)c2ccccc2OC)c1.
What is the InChIKey of (2-bromo-5-methoxyphenyl)-(2-methoxyphenyl)methanone?
The InChIKey is MHUDMJYUYYQHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrO3/c1-18-10-7-8-13(16)12(9-10)15(17)11-5-3-4-6-14(11)19-2/h3-9H,1-2H3.
What are the key properties of (2-bromo-5-methoxyphenyl)-(2-methoxyphenyl)methanone?
(2-bromo-5-methoxyphenyl)-(2-methoxyphenyl)methanone 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 (2-bromo-5-methoxyphenyl)-(2-methoxyphenyl)methanone is sourced from PubChem (CID 105079993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).