(4-bromo-2-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanone

C18H19BrO2 — CID 115368721

IUPAC(4-bromo-2-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanone
SMILESCOc1cc(Br)ccc1C(=O)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C18H19BrO2/c1-10-8-11(2)13(4)17(12(10)3)18(20)15-7-6-14(19)9-16(15)21-5/h6-9H,1-5H3
InChIKeyNCHFGEHIVNLLCI-UHFFFAOYSA-N
MW347.25 g/mol
LogP4.92
Rot. Bonds3

About (4-bromo-2-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanone

(4-bromo-2-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanone (PubChem CID 115368721) has the molecular formula C18H19BrO2 and a molecular weight of 347.25 g/mol. Its IUPAC name is (4-bromo-2-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanone.

Molecular Properties

Compound Name(4-bromo-2-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanone
PubChem CID115368721
Molecular FormulaC18H19BrO2
Molecular Weight347.25 g/mol
Exact Mass346.06
IUPAC Name(4-bromo-2-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanone
SMILESCOc1cc(Br)ccc1C(=O)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C18H19BrO2/c1-10-8-11(2)13(4)17(12(10)3)18(20)15-7-6-14(19)9-16(15)21-5/h6-9H,1-5H3
InChIKeyNCHFGEHIVNLLCI-UHFFFAOYSA-N
XLogP4.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.25
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-2-methoxyphenyl)-(4-methoxy-2,5-dimethylphenyl)methanone
CID 115797925
(2,5-dibromophenyl)-(2,3,5,6-tetramethylphenyl)methanone
CID 114368449
(5-bromo-2-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanone
CID 43378825
(4-bromo-2-methoxyphenyl)-(4-chloro-2,5-dimethylphenyl)methanone
CID 115368800
(4-bromo-2-methylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 43629619
(4-bromo-2-methoxyphenyl)-(2,5-dichlorophenyl)methanone
CID 115368770
(4-bromo-2-methoxyphenyl)-thiophen-3-ylmethanone
CID 114975240
(5-bromo-2-methoxyphenyl)-(2,6-dimethoxyphenyl)methanone
CID 43339938
4-bromo-N-(2,3-dimethylphenyl)-2-methoxybenzamide
CID 78987526
1-(4-bromo-2-methoxyphenyl)-2-(2-methylphenyl)ethanone
CID 113296084
(5-bromo-2-fluorophenyl)-(2-methoxy-4-methylphenyl)methanone
CID 106790410
N-acetyl-4-bromo-2-methoxybenzamide
CID 115369201

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanone?
The IUPAC name of (4-bromo-2-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanone (CID 115368721) is (4-bromo-2-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanone.
What is the SMILES notation for (4-bromo-2-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanone?
The canonical SMILES for (4-bromo-2-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanone is COc1cc(Br)ccc1C(=O)c1c(C)c(C)cc(C)c1C.
What is the InChIKey of (4-bromo-2-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanone?
The InChIKey is NCHFGEHIVNLLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrO2/c1-10-8-11(2)13(4)17(12(10)3)18(20)15-7-6-14(19)9-16(15)21-5/h6-9H,1-5H3.
What are the key properties of (4-bromo-2-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanone?
(4-bromo-2-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanone has a molecular weight of 347.25 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanone is sourced from PubChem (CID 115368721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).