(4-bromo-3-chlorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone

C15H18BrClO2 — CID 115814065

IUPAC(4-bromo-3-chlorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone
SMILESCC1(C)CC(C(=O)c2ccc(Br)c(Cl)c2)C(C)(C)O1
InChIInChI=1S/C15H18BrClO2/c1-14(2)8-10(15(3,4)19-14)13(18)9-5-6-11(16)12(17)7-9/h5-7,10H,8H2,1-4H3
InChIKeyFFYBRMQVMMZDGQ-UHFFFAOYSA-N
MW345.66 g/mol
LogP4.88
Rot. Bonds2

About (4-bromo-3-chlorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone

(4-bromo-3-chlorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone (PubChem CID 115814065) has the molecular formula C15H18BrClO2 and a molecular weight of 345.66 g/mol. Its IUPAC name is (4-bromo-3-chlorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone.

Molecular Properties

Compound Name(4-bromo-3-chlorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone
PubChem CID115814065
Molecular FormulaC15H18BrClO2
Molecular Weight345.66 g/mol
Exact Mass344.02
IUPAC Name(4-bromo-3-chlorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone
SMILESCC1(C)CC(C(=O)c2ccc(Br)c(Cl)c2)C(C)(C)O1
InChIInChI=1S/C15H18BrClO2/c1-14(2)8-10(15(3,4)19-14)13(18)9-5-6-11(16)12(17)7-9/h5-7,10H,8H2,1-4H3
InChIKeyFFYBRMQVMMZDGQ-UHFFFAOYSA-N
XLogP4.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.66
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-chlorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone?
The IUPAC name of (4-bromo-3-chlorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone (CID 115814065) is (4-bromo-3-chlorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone.
What is the SMILES notation for (4-bromo-3-chlorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone?
The canonical SMILES for (4-bromo-3-chlorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone is CC1(C)CC(C(=O)c2ccc(Br)c(Cl)c2)C(C)(C)O1.
What is the InChIKey of (4-bromo-3-chlorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone?
The InChIKey is FFYBRMQVMMZDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrClO2/c1-14(2)8-10(15(3,4)19-14)13(18)9-5-6-11(16)12(17)7-9/h5-7,10H,8H2,1-4H3.
What are the key properties of (4-bromo-3-chlorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone?
(4-bromo-3-chlorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone has a molecular weight of 345.66 g/mol, XLogP of 4.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-chlorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone is sourced from PubChem (CID 115814065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).