(4-bromo-2,5-dimethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanone

C16H21BrO2 — CID 65154787

IUPAC(4-bromo-2,5-dimethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanone
SMILESCc1cc(C(=O)C2C(C)OC(C)C2C)c(C)cc1Br
InChIInChI=1S/C16H21BrO2/c1-8-7-14(17)9(2)6-13(8)16(18)15-10(3)11(4)19-12(15)5/h6-7,10-12,15H,1-5H3
InChIKeyZPLZMAGITACGDO-UHFFFAOYSA-N
MW325.25 g/mol
LogP4.31
Rot. Bonds2

About (4-bromo-2,5-dimethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanone

(4-bromo-2,5-dimethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanone (PubChem CID 65154787) has the molecular formula C16H21BrO2 and a molecular weight of 325.25 g/mol. Its IUPAC name is (4-bromo-2,5-dimethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanone.

Molecular Properties

Compound Name(4-bromo-2,5-dimethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanone
PubChem CID65154787
Molecular FormulaC16H21BrO2
Molecular Weight325.25 g/mol
Exact Mass324.07
IUPAC Name(4-bromo-2,5-dimethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanone
SMILESCc1cc(C(=O)C2C(C)OC(C)C2C)c(C)cc1Br
InChIInChI=1S/C16H21BrO2/c1-8-7-14(17)9(2)6-13(8)16(18)15-10(3)11(4)19-12(15)5/h6-7,10-12,15H,1-5H3
InChIKeyZPLZMAGITACGDO-UHFFFAOYSA-N
XLogP4.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-3,5-dimethylphenyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 107574979
4-bromo-2,5-dimethylbenzoic acid;ethane
CID 143667305
4-bromo-N,N,2,5-tetramethylbenzamide
CID 176915241
4-bromo-N-methoxy-N,2,5-trimethylbenzamide
CID 123460356
(2,5-dibromo-4-methylphenyl)-(2-methylcyclopentyl)methanone
CID 107176655
(4-bromo-2,5-dimethylphenyl)-(2,5-dibromothiophen-3-yl)methanone
CID 107960045
1-(4-bromo-2,5-dimethylphenyl)-2-methylsulfonylpropan-1-one
CID 104518165
(5-methyloxolan-2-yl)-(2,4,5-trimethylphenyl)methanone
CID 114975854
(2,5-dibromo-4-methylphenyl)-(2,2-dimethylcyclopropyl)methanone
CID 107000802
(2,5-dibromo-4-methylphenyl)-piperidin-2-ylmethanone
CID 81473912
1-(2,5-dibromo-4-methylphenyl)-2,2-dimethylpropan-1-one
CID 81468584
4-bromo-2-chloro-5-methylbenzoyl chloride
CID 168975431

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,5-dimethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanone?
The IUPAC name of (4-bromo-2,5-dimethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanone (CID 65154787) is (4-bromo-2,5-dimethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanone.
What is the SMILES notation for (4-bromo-2,5-dimethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanone?
The canonical SMILES for (4-bromo-2,5-dimethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanone is Cc1cc(C(=O)C2C(C)OC(C)C2C)c(C)cc1Br.
What is the InChIKey of (4-bromo-2,5-dimethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanone?
The InChIKey is ZPLZMAGITACGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrO2/c1-8-7-14(17)9(2)6-13(8)16(18)15-10(3)11(4)19-12(15)5/h6-7,10-12,15H,1-5H3.
What are the key properties of (4-bromo-2,5-dimethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanone?
(4-bromo-2,5-dimethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanone has a molecular weight of 325.25 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2,5-dimethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanone is sourced from PubChem (CID 65154787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).