(5-bromo-2-chlorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanone

C16H14BrClO3 — CID 43626582

IUPAC(5-bromo-2-chlorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanone
SMILESCOc1cc(C)c(C(=O)c2cc(Br)ccc2Cl)cc1OC
InChIInChI=1S/C16H14BrClO3/c1-9-6-14(20-2)15(21-3)8-11(9)16(19)12-7-10(17)4-5-13(12)18/h4-8H,1-3H3
InChIKeyCMVVDUGWUUSBRP-UHFFFAOYSA-N
MW369.64 g/mol
LogP4.66
Rot. Bonds4

About (5-bromo-2-chlorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanone

(5-bromo-2-chlorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanone (PubChem CID 43626582) has the molecular formula C16H14BrClO3 and a molecular weight of 369.64 g/mol. Its IUPAC name is (5-bromo-2-chlorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanone.

Molecular Properties

Compound Name(5-bromo-2-chlorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanone
PubChem CID43626582
Molecular FormulaC16H14BrClO3
Molecular Weight369.64 g/mol
Exact Mass367.98
IUPAC Name(5-bromo-2-chlorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanone
SMILESCOc1cc(C)c(C(=O)c2cc(Br)ccc2Cl)cc1OC
InChIInChI=1S/C16H14BrClO3/c1-9-6-14(20-2)15(21-3)8-11(9)16(19)12-7-10(17)4-5-13(12)18/h4-8H,1-3H3
InChIKeyCMVVDUGWUUSBRP-UHFFFAOYSA-N
XLogP4.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.64
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-2-chlorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanone
CID 106681918
(2-chloro-4-methylphenyl)-(4,5-dimethoxy-2-methylphenyl)methanone
CID 106860799
(4-bromo-2-methoxyphenyl)-(4-chloro-2,5-dimethylphenyl)methanone
CID 115368800
(4-bromo-2-methoxyphenyl)-(4-methoxy-2,5-dimethylphenyl)methanone
CID 115797925
(5-bromo-2-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanone
CID 114894253
(5-bromo-2-chlorophenyl)-(2,5-dimethylphenyl)methanone
CID 43378824
(4-bromo-2-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanone
CID 43805084
(4-bromo-2-methoxyphenyl)-(2,5-dichlorophenyl)methanone
CID 115368770
(4-bromo-2-methylphenyl)-(2-chloro-4,5-dimethylphenyl)methanone
CID 113319354
(5-bromo-2-methoxyphenyl)-(2-chlorophenyl)methanone
CID 43339911
(4-bromo-2-methylphenyl)-(2,5-dichlorophenyl)methanone
CID 43629690
(4-bromo-2-chlorophenyl)-(4-methoxy-3-methylphenyl)methanone
CID 43805125

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-chlorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanone?
The IUPAC name of (5-bromo-2-chlorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanone (CID 43626582) is (5-bromo-2-chlorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanone.
What is the SMILES notation for (5-bromo-2-chlorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanone?
The canonical SMILES for (5-bromo-2-chlorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanone is COc1cc(C)c(C(=O)c2cc(Br)ccc2Cl)cc1OC.
What is the InChIKey of (5-bromo-2-chlorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanone?
The InChIKey is CMVVDUGWUUSBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClO3/c1-9-6-14(20-2)15(21-3)8-11(9)16(19)12-7-10(17)4-5-13(12)18/h4-8H,1-3H3.
What are the key properties of (5-bromo-2-chlorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanone?
(5-bromo-2-chlorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanone has a molecular weight of 369.64 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-chlorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanone is sourced from PubChem (CID 43626582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).