(2-bromo-5-methylphenyl)-(4-tert-butylphenyl)methanone

C18H19BrO — CID 81110791

IUPAC(2-bromo-5-methylphenyl)-(4-tert-butylphenyl)methanone
SMILESCc1ccc(Br)c(C(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C18H19BrO/c1-12-5-10-16(19)15(11-12)17(20)13-6-8-14(9-7-13)18(2,3)4/h5-11H,1-4H3
InChIKeyDSFFEDZSRVOWAE-UHFFFAOYSA-N
MW331.25 g/mol
LogP5.29
Rot. Bonds2

About (2-bromo-5-methylphenyl)-(4-tert-butylphenyl)methanone

(2-bromo-5-methylphenyl)-(4-tert-butylphenyl)methanone (PubChem CID 81110791) has the molecular formula C18H19BrO and a molecular weight of 331.25 g/mol. Its IUPAC name is (2-bromo-5-methylphenyl)-(4-tert-butylphenyl)methanone.

Molecular Properties

Compound Name(2-bromo-5-methylphenyl)-(4-tert-butylphenyl)methanone
PubChem CID81110791
Molecular FormulaC18H19BrO
Molecular Weight331.25 g/mol
Exact Mass330.06
IUPAC Name(2-bromo-5-methylphenyl)-(4-tert-butylphenyl)methanone
SMILESCc1ccc(Br)c(C(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C18H19BrO/c1-12-5-10-16(19)15(11-12)17(20)13-6-8-14(9-7-13)18(2,3)4/h5-11H,1-4H3
InChIKeyDSFFEDZSRVOWAE-UHFFFAOYSA-N
XLogP5.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.25
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-aminophenyl)-(2-bromo-5-methylphenyl)methanone
CID 81117835
(4-tert-butylphenyl)-(2,4-dimethylphenyl)methanone
CID 43337773
[4-(4-tert-butylbenzoyl)phenyl]-(4-methylphenyl)methanone
CID 145339056
[3,5-bis(4-tert-butylbenzoyl)phenyl]-(4-methylphenyl)methanone
CID 118357502
(5-bromo-2-methylphenyl)-(4-tert-butylphenyl)methanone
CID 65306382
(2-bromo-5-methylphenyl)-(2,4,6-trimethylphenyl)methanone
CID 81110554
(4-bromo-3-methylphenyl)-(2,4-dimethylphenyl)methanone
CID 113396668
(5-bromo-2-fluorophenyl)-(4-tert-butylphenyl)methanone
CID 43337748
(2-fluoro-4-methylphenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 114970701
(4-bromo-2-chlorophenyl)-(4-tert-butylphenyl)methanone
CID 43805057
(2-bromo-5-methylphenyl)-(5-fluoro-3-pyridinyl)methanone
CID 114963527
(2-bromo-5-methylphenyl)-(1-methylpyrazol-4-yl)methanone
CID 114963931

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-methylphenyl)-(4-tert-butylphenyl)methanone?
The IUPAC name of (2-bromo-5-methylphenyl)-(4-tert-butylphenyl)methanone (CID 81110791) is (2-bromo-5-methylphenyl)-(4-tert-butylphenyl)methanone.
What is the SMILES notation for (2-bromo-5-methylphenyl)-(4-tert-butylphenyl)methanone?
The canonical SMILES for (2-bromo-5-methylphenyl)-(4-tert-butylphenyl)methanone is Cc1ccc(Br)c(C(=O)c2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of (2-bromo-5-methylphenyl)-(4-tert-butylphenyl)methanone?
The InChIKey is DSFFEDZSRVOWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrO/c1-12-5-10-16(19)15(11-12)17(20)13-6-8-14(9-7-13)18(2,3)4/h5-11H,1-4H3.
What are the key properties of (2-bromo-5-methylphenyl)-(4-tert-butylphenyl)methanone?
(2-bromo-5-methylphenyl)-(4-tert-butylphenyl)methanone has a molecular weight of 331.25 g/mol, XLogP of 5.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-methylphenyl)-(4-tert-butylphenyl)methanone is sourced from PubChem (CID 81110791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).