(2-bromophenyl)-(oxan-4-yl)methanone

C12H13BrO2 — CID 63936269

IUPAC(2-bromophenyl)-(oxan-4-yl)methanone
SMILESO=C(c1ccccc1Br)C1CCOCC1
InChIInChI=1S/C12H13BrO2/c13-11-4-2-1-3-10(11)12(14)9-5-7-15-8-6-9/h1-4,9H,5-8H2
InChIKeySTOYGVHGMJXBCP-UHFFFAOYSA-N
MW269.14 g/mol
LogP3.06
Rot. Bonds2

About (2-bromophenyl)-(oxan-4-yl)methanone

(2-bromophenyl)-(oxan-4-yl)methanone (PubChem CID 63936269) has the molecular formula C12H13BrO2 and a molecular weight of 269.14 g/mol. Its IUPAC name is (2-bromophenyl)-(oxan-4-yl)methanone.

Molecular Properties

Compound Name(2-bromophenyl)-(oxan-4-yl)methanone
PubChem CID63936269
Molecular FormulaC12H13BrO2
Molecular Weight269.14 g/mol
Exact Mass268.01
IUPAC Name(2-bromophenyl)-(oxan-4-yl)methanone
SMILESO=C(c1ccccc1Br)C1CCOCC1
InChIInChI=1S/C12H13BrO2/c13-11-4-2-1-3-10(11)12(14)9-5-7-15-8-6-9/h1-4,9H,5-8H2
InChIKeySTOYGVHGMJXBCP-UHFFFAOYSA-N
XLogP3.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-aminophenyl)-(oxan-4-yl)methanone
CID 64834175
(2-bromophenyl)-[4-(methylamino)cyclohexyl]methanone
CID 116917636
(4-bromothiophen-3-yl)-(oxan-4-yl)methanone
CID 79596494
[2-(2-aminoethyl)phenyl]-(oxan-4-yl)methanone
CID 116577414
(4-bromonaphthalen-1-yl)-(oxolan-3-yl)methanone
CID 79597549
[2-[2-(methylamino)ethyl]phenyl]-(oxan-4-yl)methanone
CID 116613219
(3-bromophenyl)-(oxan-4-yl)methanone
CID 63934842
2-bromo-N-methyl-N-(oxolan-3-yl)benzamide
CID 78954018
oxan-4-yl-(4-phenylphenyl)methanone
CID 62905640
1-(2-bromophenyl)-2-[methyl(oxan-4-ylmethyl)amino]ethanone
CID 63713643
oxan-4-yl-(2,4,5-trifluorophenyl)methanone
CID 103301496
2-(2-bromophenyl)-1-(oxolan-3-yl)ethanone
CID 63564355

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-(oxan-4-yl)methanone?
The IUPAC name of (2-bromophenyl)-(oxan-4-yl)methanone (CID 63936269) is (2-bromophenyl)-(oxan-4-yl)methanone.
What is the SMILES notation for (2-bromophenyl)-(oxan-4-yl)methanone?
The canonical SMILES for (2-bromophenyl)-(oxan-4-yl)methanone is O=C(c1ccccc1Br)C1CCOCC1.
What is the InChIKey of (2-bromophenyl)-(oxan-4-yl)methanone?
The InChIKey is STOYGVHGMJXBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrO2/c13-11-4-2-1-3-10(11)12(14)9-5-7-15-8-6-9/h1-4,9H,5-8H2.
What are the key properties of (2-bromophenyl)-(oxan-4-yl)methanone?
(2-bromophenyl)-(oxan-4-yl)methanone has a molecular weight of 269.14 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-(oxan-4-yl)methanone is sourced from PubChem (CID 63936269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).