(4-bromophenyl)-(oxan-3-yl)methanol

C12H15BrO2 — CID 63015439

IUPAC(4-bromophenyl)-(oxan-3-yl)methanol
SMILESOC(c1ccc(Br)cc1)C1CCCOC1
InChIInChI=1S/C12H15BrO2/c13-11-5-3-9(4-6-11)12(14)10-2-1-7-15-8-10/h3-6,10,12,14H,1-2,7-8H2
InChIKeyCFIBUIOAXNCUBL-UHFFFAOYSA-N
MW271.15 g/mol
LogP2.91
Rot. Bonds2

About (4-bromophenyl)-(oxan-3-yl)methanol

(4-bromophenyl)-(oxan-3-yl)methanol (PubChem CID 63015439) has the molecular formula C12H15BrO2 and a molecular weight of 271.15 g/mol. Its IUPAC name is (4-bromophenyl)-(oxan-3-yl)methanol.

Molecular Properties

Compound Name(4-bromophenyl)-(oxan-3-yl)methanol
PubChem CID63015439
Molecular FormulaC12H15BrO2
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC Name(4-bromophenyl)-(oxan-3-yl)methanol
SMILESOC(c1ccc(Br)cc1)C1CCCOC1
InChIInChI=1S/C12H15BrO2/c13-11-5-3-9(4-6-11)12(14)10-2-1-7-15-8-10/h3-6,10,12,14H,1-2,7-8H2
InChIKeyCFIBUIOAXNCUBL-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methylsulfanylphenyl)-(oxan-3-yl)methanol
CID 107136272
(4-ethylphenyl)-(oxan-3-yl)methanol
CID 63014910
(3-bromo-4-fluorophenyl)-(oxan-3-yl)methanol
CID 79746537
(5-bromo-2-methylphenyl)-(oxan-3-yl)methanol
CID 107139423
(3-bromo-5-fluorophenyl)-(oxan-3-yl)methanol
CID 107136132
(6-bromonaphthalen-2-yl)-(oxolan-3-yl)methanol
CID 115798116
oxan-3-yl(5,6,7,8-tetrahydronaphthalen-2-yl)methanol
CID 63015264
oxan-3-yl(thiophen-3-yl)methanol
CID 65099967
(3-aminophenyl)-(oxan-3-yl)methanol
CID 107136268
(3,5-dibromophenyl)-(oxan-3-yl)methanamine
CID 107978057
(4-bromophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
CID 79900364
oxan-3-yl(quinolin-6-yl)methanol
CID 81215748

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(oxan-3-yl)methanol?
The IUPAC name of (4-bromophenyl)-(oxan-3-yl)methanol (CID 63015439) is (4-bromophenyl)-(oxan-3-yl)methanol.
What is the SMILES notation for (4-bromophenyl)-(oxan-3-yl)methanol?
The canonical SMILES for (4-bromophenyl)-(oxan-3-yl)methanol is OC(c1ccc(Br)cc1)C1CCCOC1.
What is the InChIKey of (4-bromophenyl)-(oxan-3-yl)methanol?
The InChIKey is CFIBUIOAXNCUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO2/c13-11-5-3-9(4-6-11)12(14)10-2-1-7-15-8-10/h3-6,10,12,14H,1-2,7-8H2.
What are the key properties of (4-bromophenyl)-(oxan-3-yl)methanol?
(4-bromophenyl)-(oxan-3-yl)methanol has a molecular weight of 271.15 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-(oxan-3-yl)methanol is sourced from PubChem (CID 63015439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).