(3,5-dibromophenyl)-(oxan-4-yl)methanol

C12H14Br2O2 — CID 107978364

IUPAC(3,5-dibromophenyl)-(oxan-4-yl)methanol
SMILESOC(c1cc(Br)cc(Br)c1)C1CCOCC1
InChIInChI=1S/C12H14Br2O2/c13-10-5-9(6-11(14)7-10)12(15)8-1-3-16-4-2-8/h5-8,12,15H,1-4H2
InChIKeyRCDMEMACVVYVTO-UHFFFAOYSA-N
MW350.05 g/mol
LogP3.67
Rot. Bonds2

About (3,5-dibromophenyl)-(oxan-4-yl)methanol

(3,5-dibromophenyl)-(oxan-4-yl)methanol (PubChem CID 107978364) has the molecular formula C12H14Br2O2 and a molecular weight of 350.05 g/mol. Its IUPAC name is (3,5-dibromophenyl)-(oxan-4-yl)methanol.

Molecular Properties

Compound Name(3,5-dibromophenyl)-(oxan-4-yl)methanol
PubChem CID107978364
Molecular FormulaC12H14Br2O2
Molecular Weight350.05 g/mol
Exact Mass347.94
IUPAC Name(3,5-dibromophenyl)-(oxan-4-yl)methanol
SMILESOC(c1cc(Br)cc(Br)c1)C1CCOCC1
InChIInChI=1S/C12H14Br2O2/c13-10-5-9(6-11(14)7-10)12(15)8-1-3-16-4-2-8/h5-8,12,15H,1-4H2
InChIKeyRCDMEMACVVYVTO-UHFFFAOYSA-N
XLogP3.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.05
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(oxan-4-yl)methanol
CID 113425147
(3-bromo-4-chlorophenyl)-(oxan-4-yl)methanol
CID 115566537
(3-bromo-5-fluorophenyl)-(oxan-3-yl)methanol
CID 107136132
(3-bromo-5-fluorophenyl)-cyclohexylmethanol
CID 66425421
(3-bromophenyl)-(oxan-4-yl)methanamine
CID 63934860
(4,5-dibromothiophen-2-yl)-(oxan-4-yl)methanol
CID 80535371
(5-bromo-3-pyridinyl)-cyclopropylmethanol;3,5-dibromopyridine
CID 160748574
(6-bromonaphthalen-2-yl)-(oxolan-3-yl)methanol
CID 115798116
1,3-benzodioxol-5-yl(oxan-4-yl)methanol
CID 63935647
(3,5-dichlorophenyl)-(oxolan-3-yl)methanol
CID 63899921
(4-methylsulfanylphenyl)-(oxan-4-yl)methanol
CID 115797647
(5-bromo-3-pyridinyl)-cyclopropylmethanol
CID 59825022

Frequently Asked Questions

What is the IUPAC name of (3,5-dibromophenyl)-(oxan-4-yl)methanol?
The IUPAC name of (3,5-dibromophenyl)-(oxan-4-yl)methanol (CID 107978364) is (3,5-dibromophenyl)-(oxan-4-yl)methanol.
What is the SMILES notation for (3,5-dibromophenyl)-(oxan-4-yl)methanol?
The canonical SMILES for (3,5-dibromophenyl)-(oxan-4-yl)methanol is OC(c1cc(Br)cc(Br)c1)C1CCOCC1.
What is the InChIKey of (3,5-dibromophenyl)-(oxan-4-yl)methanol?
The InChIKey is RCDMEMACVVYVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Br2O2/c13-10-5-9(6-11(14)7-10)12(15)8-1-3-16-4-2-8/h5-8,12,15H,1-4H2.
What are the key properties of (3,5-dibromophenyl)-(oxan-4-yl)methanol?
(3,5-dibromophenyl)-(oxan-4-yl)methanol has a molecular weight of 350.05 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dibromophenyl)-(oxan-4-yl)methanol is sourced from PubChem (CID 107978364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).