(1R)-1-(5-bromo-2-phenylmethoxyphenyl)ethanol

C15H15BrO2 — CID 78932268

IUPAC(1R)-1-(5-bromo-2-phenylmethoxyphenyl)ethanol
SMILESC[C@@H](O)c1cc(Br)ccc1OCc1ccccc1
InChIInChI=1S/C15H15BrO2/c1-11(17)14-9-13(16)7-8-15(14)18-10-12-5-3-2-4-6-12/h2-9,11,17H,10H2,1H3/t11-/m1/s1
InChIKeyBWPMDCPFSXGCPY-LLVKDONJSA-N
MW307.19 g/mol
LogP4.08
Rot. Bonds4

About (1R)-1-(5-bromo-2-phenylmethoxyphenyl)ethanol

(1R)-1-(5-bromo-2-phenylmethoxyphenyl)ethanol (PubChem CID 78932268) has the molecular formula C15H15BrO2 and a molecular weight of 307.19 g/mol. Its IUPAC name is (1R)-1-(5-bromo-2-phenylmethoxyphenyl)ethanol.

Molecular Properties

Compound Name(1R)-1-(5-bromo-2-phenylmethoxyphenyl)ethanol
PubChem CID78932268
Molecular FormulaC15H15BrO2
Molecular Weight307.19 g/mol
Exact Mass306.03
IUPAC Name(1R)-1-(5-bromo-2-phenylmethoxyphenyl)ethanol
SMILESC[C@@H](O)c1cc(Br)ccc1OCc1ccccc1
InChIInChI=1S/C15H15BrO2/c1-11(17)14-9-13(16)7-8-15(14)18-10-12-5-3-2-4-6-12/h2-9,11,17H,10H2,1H3/t11-/m1/s1
InChIKeyBWPMDCPFSXGCPY-LLVKDONJSA-N
XLogP4.08
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(5-bromo-2-phenylmethoxyphenyl)ethanamine
CID 78937030
(1R)-1-[5-bromo-2-[(4-methoxyphenyl)methoxy]phenyl]ethanol
CID 78932320
(1R)-1-[5-bromo-2-[(3-methoxyphenyl)methoxy]phenyl]ethanol
CID 63365872
1-[5-bromo-2-(pyridin-3-ylmethoxy)phenyl]ethanol
CID 62380101
(1S)-1-[5-bromo-2-[(3-methoxyphenyl)methoxy]phenyl]ethanol
CID 78932276
2-(5-bromo-2-phenylmethoxyphenyl)propane-1,3-diol
CID 156555917
(1R)-1-[5-bromo-2-(4-phenylbutoxy)phenyl]ethanol
CID 104893887
(1S)-1-[5-bromo-2-[(2-bromophenyl)methoxy]phenyl]ethanol
CID 55189545
1-[5-bromo-2-(thiophen-3-ylmethoxy)phenyl]ethanol
CID 62381389
1-[2-[(3-bromophenyl)methoxy]phenyl]ethanol
CID 43504021
(1R)-1-[5-bromo-2-(2-phenoxyethoxy)phenyl]ethanol
CID 63365910
(1S)-1-[2-[(3-bromophenyl)methoxy]-5-methylphenyl]ethanol
CID 78933642

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-bromo-2-phenylmethoxyphenyl)ethanol?
The IUPAC name of (1R)-1-(5-bromo-2-phenylmethoxyphenyl)ethanol (CID 78932268) is (1R)-1-(5-bromo-2-phenylmethoxyphenyl)ethanol.
What is the SMILES notation for (1R)-1-(5-bromo-2-phenylmethoxyphenyl)ethanol?
The canonical SMILES for (1R)-1-(5-bromo-2-phenylmethoxyphenyl)ethanol is C[C@@H](O)c1cc(Br)ccc1OCc1ccccc1.
What is the InChIKey of (1R)-1-(5-bromo-2-phenylmethoxyphenyl)ethanol?
The InChIKey is BWPMDCPFSXGCPY-LLVKDONJSA-N. The full InChI is InChI=1S/C15H15BrO2/c1-11(17)14-9-13(16)7-8-15(14)18-10-12-5-3-2-4-6-12/h2-9,11,17H,10H2,1H3/t11-/m1/s1.
What are the key properties of (1R)-1-(5-bromo-2-phenylmethoxyphenyl)ethanol?
(1R)-1-(5-bromo-2-phenylmethoxyphenyl)ethanol has a molecular weight of 307.19 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-bromo-2-phenylmethoxyphenyl)ethanol is sourced from PubChem (CID 78932268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).