(3,5-dibromophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone

C18H18Br2O — CID 107979582

IUPAC(3,5-dibromophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
SMILESCc1c(C)c(C)c(C(=O)c2cc(Br)cc(Br)c2)c(C)c1C
InChIInChI=1S/C18H18Br2O/c1-9-10(2)12(4)17(13(5)11(9)3)18(21)14-6-15(19)8-16(20)7-14/h6-8H,1-5H3
InChIKeyULUOVVOOMMYMHA-UHFFFAOYSA-N
MW410.15 g/mol
LogP5.98
Rot. Bonds2

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

(3,5-dibromophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone (PubChem CID 107979582) has the molecular formula C18H18Br2O and a molecular weight of 410.15 g/mol. Its IUPAC name is (3,5-dibromophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone.

Molecular Properties

Compound Name(3,5-dibromophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
PubChem CID107979582
Molecular FormulaC18H18Br2O
Molecular Weight410.15 g/mol
Exact Mass407.97
IUPAC Name(3,5-dibromophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
SMILESCc1c(C)c(C)c(C(=O)c2cc(Br)cc(Br)c2)c(C)c1C
InChIInChI=1S/C18H18Br2O/c1-9-10(2)12(4)17(13(5)11(9)3)18(21)14-6-15(19)8-16(20)7-14/h6-8H,1-5H3
InChIKeyULUOVVOOMMYMHA-UHFFFAOYSA-N
XLogP5.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.15
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-5-fluorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 43248240
(3,5-dibromophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
CID 114023489
ethyl 4-(3,5-dibromobenzoyl)-1,3,5-trimethylpyrrole-2-carboxylate
CID 163793229
(5-bromo-2-methoxy-3,6-dimethylphenyl)-(3,5-dibromophenyl)methanone
CID 107979689
(4-bromo-2-methylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 43629619
(5-bromo-2-methylthiophen-3-yl)-(3,5-dibromophenyl)methanone
CID 107979661
(3,5-dibromophenyl)-(6-methyl-3-pyridinyl)methanone
CID 107976815
(3,4-dimethylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 43337407
(4-amino-2-methylphenyl)-(3,5-dibromophenyl)methanone
CID 107981120
(3,5-dibromophenyl)-pyridin-4-ylmethanone
CID 19711365
[3-bromo-5-(3,5-dihydroxybenzoyl)phenyl]-(3,5-dihydroxyphenyl)methanone
CID 86088620
(3,5-dibromophenyl)-(2-methoxy-5-methylphenyl)methanone
CID 107976766

Frequently Asked Questions

What is the IUPAC name of (3,5-dibromophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone?
The IUPAC name of (3,5-dibromophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone (CID 107979582) is (3,5-dibromophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone.
What is the SMILES notation for (3,5-dibromophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone?
The canonical SMILES for (3,5-dibromophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone is Cc1c(C)c(C)c(C(=O)c2cc(Br)cc(Br)c2)c(C)c1C.
What is the InChIKey of (3,5-dibromophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone?
The InChIKey is ULUOVVOOMMYMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Br2O/c1-9-10(2)12(4)17(13(5)11(9)3)18(21)14-6-15(19)8-16(20)7-14/h6-8H,1-5H3.
What are the key properties of (3,5-dibromophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone?
(3,5-dibromophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone has a molecular weight of 410.15 g/mol, XLogP of 5.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dibromophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone is sourced from PubChem (CID 107979582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).