4-(4-bromo-2-methylphenyl)oxan-4-ol

C12H15BrO2 — CID 171367092

IUPAC4-(4-bromo-2-methylphenyl)oxan-4-ol
SMILESCc1cc(Br)ccc1C1(O)CCOCC1
InChIInChI=1S/C12H15BrO2/c1-9-8-10(13)2-3-11(9)12(14)4-6-15-7-5-12/h2-3,8,14H,4-7H2,1H3
InChIKeyJMEBXTQLERXISK-UHFFFAOYSA-N
MW271.15 g/mol
LogP2.76
Rot. Bonds1

About 4-(4-bromo-2-methylphenyl)oxan-4-ol

4-(4-bromo-2-methylphenyl)oxan-4-ol (PubChem CID 171367092) has the molecular formula C12H15BrO2 and a molecular weight of 271.15 g/mol. Its IUPAC name is 4-(4-bromo-2-methylphenyl)oxan-4-ol.

Molecular Properties

Compound Name4-(4-bromo-2-methylphenyl)oxan-4-ol
PubChem CID171367092
Molecular FormulaC12H15BrO2
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC Name4-(4-bromo-2-methylphenyl)oxan-4-ol
SMILESCc1cc(Br)ccc1C1(O)CCOCC1
InChIInChI=1S/C12H15BrO2/c1-9-8-10(13)2-3-11(9)12(14)4-6-15-7-5-12/h2-3,8,14H,4-7H2,1H3
InChIKeyJMEBXTQLERXISK-UHFFFAOYSA-N
XLogP2.76
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-bromo-2-methylphenyl)oxetan-3-ol
CID 116873033
1-(2,4-dibromophenyl)cyclopropan-1-ol
CID 107957829
tert-butyl 4-(4-bromo-2-methylphenyl)-4-hydroxypiperidine-1-carboxylate
CID 18379530
4-(2-methylthiophen-3-yl)oxan-4-ol
CID 102829109
4-(2-amino-5-methylphenyl)oxan-4-ol
CID 117104406
7-(4-bromo-2-methylphenyl)bicyclo[4.1.0]heptan-7-ol
CID 79331056
4-(4-fluoro-2-hydroxyphenyl)oxan-4-ol
CID 117104442
1-(4-bromo-2-methylphenyl)cyclohexan-1-amine
CID 82305048
4-[3-(4-bromo-2-methylphenoxy)-2-hydroxypropyl]oxan-4-ol
CID 167767404
1-(4-fluoro-2-methylphenyl)cyclobutan-1-ol
CID 79081119
1-(5-bromo-2-propan-2-ylphenyl)cyclopropan-1-ol
CID 84804882
1-(4-bromo-2-methylphenyl)adamantane
CID 169055099

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-methylphenyl)oxan-4-ol?
The IUPAC name of 4-(4-bromo-2-methylphenyl)oxan-4-ol (CID 171367092) is 4-(4-bromo-2-methylphenyl)oxan-4-ol.
What is the SMILES notation for 4-(4-bromo-2-methylphenyl)oxan-4-ol?
The canonical SMILES for 4-(4-bromo-2-methylphenyl)oxan-4-ol is Cc1cc(Br)ccc1C1(O)CCOCC1.
What is the InChIKey of 4-(4-bromo-2-methylphenyl)oxan-4-ol?
The InChIKey is JMEBXTQLERXISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO2/c1-9-8-10(13)2-3-11(9)12(14)4-6-15-7-5-12/h2-3,8,14H,4-7H2,1H3.
What are the key properties of 4-(4-bromo-2-methylphenyl)oxan-4-ol?
4-(4-bromo-2-methylphenyl)oxan-4-ol has a molecular weight of 271.15 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-methylphenyl)oxan-4-ol is sourced from PubChem (CID 171367092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).