3-(4-bromophenyl)cyclobutan-1-one;ethane

C14H21BrO — CID 142378468

IUPAC3-(4-bromophenyl)cyclobutan-1-one;ethane
SMILESCC.CC.O=C1CC(c2ccc(Br)cc2)C1
InChIInChI=1S/C10H9BrO.2C2H6/c11-9-3-1-7(2-4-9)8-5-10(12)6-8;2*1-2/h1-4,8H,5-6H2;2*1-2H3
InChIKeyALAPPYLDMYLUIE-UHFFFAOYSA-N
MW285.23 g/mol
LogP4.95
Rot. Bonds1

About 3-(4-bromophenyl)cyclobutan-1-one;ethane

3-(4-bromophenyl)cyclobutan-1-one;ethane (PubChem CID 142378468) has the molecular formula C14H21BrO and a molecular weight of 285.23 g/mol. Its IUPAC name is 3-(4-bromophenyl)cyclobutan-1-one;ethane.

Molecular Properties

Compound Name3-(4-bromophenyl)cyclobutan-1-one;ethane
PubChem CID142378468
Molecular FormulaC14H21BrO
Molecular Weight285.23 g/mol
Exact Mass284.08
IUPAC Name3-(4-bromophenyl)cyclobutan-1-one;ethane
SMILESCC.CC.O=C1CC(c2ccc(Br)cc2)C1
InChIInChI=1S/C10H9BrO.2C2H6/c11-9-3-1-7(2-4-9)8-5-10(12)6-8;2*1-2/h1-4,8H,5-6H2;2*1-2H3
InChIKeyALAPPYLDMYLUIE-UHFFFAOYSA-N
XLogP4.95
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 167467914
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trans-(3S,5S)-3,5-bis(4-bromophenyl)-4-ethenylcyclohexan-1-one
CID 11453292
3-(5-bromo-2-pyridinyl)cyclobutan-1-one
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1-bromo-4-cyclopropylbenzene;N-methylmethanamine;hydrochloride
CID 66919211
1-bromo-4-(4-methylcyclohexyl)benzene
CID 21137228
(4aS,8aR)-6-(4-bromophenyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one
CID 20808476
3-(4-fluorophenyl)cyclobutan-1-one;methyl formate
CID 175301276
(5S,6S)-5-amino-6-(4-bromophenyl)piperidin-2-one
CID 67311120
4,6-bis(4-bromophenyl)piperidin-2-one
CID 71303235
5-(4-fluorophenyl)cyclohexane-1,3-dione
CID 730136
5-(4-aminophenyl)cyclohexane-1,3-dione
CID 51063687

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)cyclobutan-1-one;ethane?
The IUPAC name of 3-(4-bromophenyl)cyclobutan-1-one;ethane (CID 142378468) is 3-(4-bromophenyl)cyclobutan-1-one;ethane.
What is the SMILES notation for 3-(4-bromophenyl)cyclobutan-1-one;ethane?
The canonical SMILES for 3-(4-bromophenyl)cyclobutan-1-one;ethane is CC.CC.O=C1CC(c2ccc(Br)cc2)C1.
What is the InChIKey of 3-(4-bromophenyl)cyclobutan-1-one;ethane?
The InChIKey is ALAPPYLDMYLUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrO.2C2H6/c11-9-3-1-7(2-4-9)8-5-10(12)6-8;2*1-2/h1-4,8H,5-6H2;2*1-2H3.
What are the key properties of 3-(4-bromophenyl)cyclobutan-1-one;ethane?
3-(4-bromophenyl)cyclobutan-1-one;ethane has a molecular weight of 285.23 g/mol, XLogP of 4.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)cyclobutan-1-one;ethane is sourced from PubChem (CID 142378468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).