(4-bromo-2-methylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone

C19H21BrO — CID 43629619

IUPAC(4-bromo-2-methylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
SMILESCc1cc(Br)ccc1C(=O)c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C19H21BrO/c1-10-9-16(20)7-8-17(10)19(21)18-14(5)12(3)11(2)13(4)15(18)6/h7-9H,1-6H3
InChIKeyNTPZBYKAIPDENW-UHFFFAOYSA-N
MW345.28 g/mol
LogP5.53
Rot. Bonds2

About (4-bromo-2-methylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone

(4-bromo-2-methylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone (PubChem CID 43629619) has the molecular formula C19H21BrO and a molecular weight of 345.28 g/mol. Its IUPAC name is (4-bromo-2-methylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone.

Molecular Properties

Compound Name(4-bromo-2-methylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
PubChem CID43629619
Molecular FormulaC19H21BrO
Molecular Weight345.28 g/mol
Exact Mass344.08
IUPAC Name(4-bromo-2-methylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
SMILESCc1cc(Br)ccc1C(=O)c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C19H21BrO/c1-10-9-16(20)7-8-17(10)19(21)18-14(5)12(3)11(2)13(4)15(18)6/h7-9H,1-6H3
InChIKeyNTPZBYKAIPDENW-UHFFFAOYSA-N
XLogP5.53
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.28
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-bromo-2-methylphenyl)-(2-methylphenyl)methanone
CID 11150419
(2,5-dibromophenyl)-(2,3,5,6-tetramethylphenyl)methanone
CID 114368449
4-bromo-2-methylbenzenecarbothioic S-acid
CID 87286158
(4-bromo-2-methylphenyl)-(4-fluoro-3,5-dimethylphenyl)methanone
CID 65299227
(4-bromo-2-methylphenyl)-(3,5-difluorophenyl)methanone
CID 112694073
(4-bromo-2-methylphenyl)-(2-chloro-4,5-dimethylphenyl)methanone
CID 113319354
(5-bromo-2-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanone
CID 43378825
(4-bromo-2-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanone
CID 115368721
(4-bromo-2-methylphenyl)-(2,5-dichlorophenyl)methanone
CID 43629690
(4-bromo-2-methylphenyl)-(3,5-dimethylthiophen-2-yl)methanone
CID 81156986
(4-bromo-2-methylphenyl)-(5-bromo-4-methylthiophen-2-yl)methanone
CID 79997217
(4-bromo-2-methylphenyl)-(2,4-dichlorophenyl)methanone
CID 63492688

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone?
The IUPAC name of (4-bromo-2-methylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone (CID 43629619) is (4-bromo-2-methylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone.
What is the SMILES notation for (4-bromo-2-methylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone?
The canonical SMILES for (4-bromo-2-methylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone is Cc1cc(Br)ccc1C(=O)c1c(C)c(C)c(C)c(C)c1C.
What is the InChIKey of (4-bromo-2-methylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone?
The InChIKey is NTPZBYKAIPDENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrO/c1-10-9-16(20)7-8-17(10)19(21)18-14(5)12(3)11(2)13(4)15(18)6/h7-9H,1-6H3.
What are the key properties of (4-bromo-2-methylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone?
(4-bromo-2-methylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone has a molecular weight of 345.28 g/mol, XLogP of 5.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-methylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone is sourced from PubChem (CID 43629619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).