3-[(2-bromophenyl)methyl]oxan-4-ol

C12H15BrO2 — CID 106471230

IUPAC3-[(2-bromophenyl)methyl]oxan-4-ol
SMILESOC1CCOCC1Cc1ccccc1Br
InChIInChI=1S/C12H15BrO2/c13-11-4-2-1-3-9(11)7-10-8-15-6-5-12(10)14/h1-4,10,12,14H,5-8H2
InChIKeySIGWXDWRCVZIQF-UHFFFAOYSA-N
MW271.15 g/mol
LogP2.39
Rot. Bonds2

About 3-[(2-bromophenyl)methyl]oxan-4-ol

3-[(2-bromophenyl)methyl]oxan-4-ol (PubChem CID 106471230) has the molecular formula C12H15BrO2 and a molecular weight of 271.15 g/mol. Its IUPAC name is 3-[(2-bromophenyl)methyl]oxan-4-ol.

Molecular Properties

Compound Name3-[(2-bromophenyl)methyl]oxan-4-ol
PubChem CID106471230
Molecular FormulaC12H15BrO2
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC Name3-[(2-bromophenyl)methyl]oxan-4-ol
SMILESOC1CCOCC1Cc1ccccc1Br
InChIInChI=1S/C12H15BrO2/c13-11-4-2-1-3-9(11)7-10-8-15-6-5-12(10)14/h1-4,10,12,14H,5-8H2
InChIKeySIGWXDWRCVZIQF-UHFFFAOYSA-N
XLogP2.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-bromo-2-chlorophenyl)methyl]oxan-4-ol
CID 106471285
3-(quinolin-4-ylmethyl)oxan-4-ol
CID 106471125
3-[(5-bromothiophen-2-yl)methyl]oxan-4-ol
CID 106471228
3-(quinolin-8-ylmethyl)oxan-4-ol
CID 106471188
3-[(2-bromophenyl)methyl]-2-methylcyclopentan-1-ol
CID 64907505
2-(2-bromophenyl)-1-(oxolan-3-yl)ethanone
CID 63564355
3-[(2-methoxy-3-pyridinyl)methyl]oxan-4-ol
CID 106471082
2-[(2-bromophenyl)methyl]-1,3-dioxolane
CID 2756954
3-[(4-bromo-2-nitrophenyl)methyl]oxan-4-ol
CID 106471353
3-[(4-hydroxyphenyl)methyl]oxan-4-ol
CID 106471081
3-[[(2-bromophenyl)methyl-methylamino]methyl]oxan-4-amine
CID 103059515
3-[(4-chlorophenyl)methyl]oxan-4-ol
CID 71649863

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromophenyl)methyl]oxan-4-ol?
The IUPAC name of 3-[(2-bromophenyl)methyl]oxan-4-ol (CID 106471230) is 3-[(2-bromophenyl)methyl]oxan-4-ol.
What is the SMILES notation for 3-[(2-bromophenyl)methyl]oxan-4-ol?
The canonical SMILES for 3-[(2-bromophenyl)methyl]oxan-4-ol is OC1CCOCC1Cc1ccccc1Br.
What is the InChIKey of 3-[(2-bromophenyl)methyl]oxan-4-ol?
The InChIKey is SIGWXDWRCVZIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO2/c13-11-4-2-1-3-9(11)7-10-8-15-6-5-12(10)14/h1-4,10,12,14H,5-8H2.
What are the key properties of 3-[(2-bromophenyl)methyl]oxan-4-ol?
3-[(2-bromophenyl)methyl]oxan-4-ol has a molecular weight of 271.15 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromophenyl)methyl]oxan-4-ol is sourced from PubChem (CID 106471230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).