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

C15H15BrO2 — CID 171991585

IUPAC(1S)-1-(2-bromo-5-phenylmethoxyphenyl)ethanol
SMILESC[C@H](O)c1cc(OCc2ccccc2)ccc1Br
InChIInChI=1S/C15H15BrO2/c1-11(17)14-9-13(7-8-15(14)16)18-10-12-5-3-2-4-6-12/h2-9,11,17H,10H2,1H3/t11-/m0/s1
InChIKeyCGVCQBVIWMFRLG-NSHDSACASA-N
MW307.19 g/mol
LogP4.08
Rot. Bonds4

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

(1S)-1-(2-bromo-5-phenylmethoxyphenyl)ethanol (PubChem CID 171991585) has the molecular formula C15H15BrO2 and a molecular weight of 307.19 g/mol. Its IUPAC name is (1S)-1-(2-bromo-5-phenylmethoxyphenyl)ethanol.

Molecular Properties

Compound Name(1S)-1-(2-bromo-5-phenylmethoxyphenyl)ethanol
PubChem CID171991585
Molecular FormulaC15H15BrO2
Molecular Weight307.19 g/mol
Exact Mass306.03
IUPAC Name(1S)-1-(2-bromo-5-phenylmethoxyphenyl)ethanol
SMILESC[C@H](O)c1cc(OCc2ccccc2)ccc1Br
InChIInChI=1S/C15H15BrO2/c1-11(17)14-9-13(7-8-15(14)16)18-10-12-5-3-2-4-6-12/h2-9,11,17H,10H2,1H3/t11-/m0/s1
InChIKeyCGVCQBVIWMFRLG-NSHDSACASA-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

1-(2-chloro-5-phenylmethoxyphenyl)ethanol
CID 83988712
1-(2-bromo-5-phenylmethoxyphenyl)propan-1-one
CID 83988722
(1R)-1-(5-bromo-2-phenylmethoxyphenyl)ethanol
CID 78932268
2-[1-(2-bromo-5-phenylmethoxyphenyl)ethoxy]-2-cyclohexylacetic acid
CID 170706738
2-bromo-1-(difluoromethyl)-4-phenylmethoxybenzene
CID 154815122
2-bromo-5-phenylmethoxybenzoic acid
CID 15891190
4-phenylmethoxy-2-propan-2-ylbenzoic acid
CID 23134235
1-bromo-4-phenylmethoxy-2-propylbenzene
CID 58754092
1-(2-fluoro-5-phenylmethoxyphenyl)-2-phenylethanol
CID 83988743
1-(2-bromo-4-phenylmethoxyphenyl)ethanone
CID 70433955
(1S,2R)-2-amino-1-(2-methyl-4-phenylmethoxyphenyl)propan-1-ol
CID 139820128
1-bromo-2-(2-methylprop-2-enoxy)-4-phenylmethoxybenzene
CID 66642620

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-bromo-5-phenylmethoxyphenyl)ethanol?
The IUPAC name of (1S)-1-(2-bromo-5-phenylmethoxyphenyl)ethanol (CID 171991585) is (1S)-1-(2-bromo-5-phenylmethoxyphenyl)ethanol.
What is the SMILES notation for (1S)-1-(2-bromo-5-phenylmethoxyphenyl)ethanol?
The canonical SMILES for (1S)-1-(2-bromo-5-phenylmethoxyphenyl)ethanol is C[C@H](O)c1cc(OCc2ccccc2)ccc1Br.
What is the InChIKey of (1S)-1-(2-bromo-5-phenylmethoxyphenyl)ethanol?
The InChIKey is CGVCQBVIWMFRLG-NSHDSACASA-N. The full InChI is InChI=1S/C15H15BrO2/c1-11(17)14-9-13(7-8-15(14)16)18-10-12-5-3-2-4-6-12/h2-9,11,17H,10H2,1H3/t11-/m0/s1.
What are the key properties of (1S)-1-(2-bromo-5-phenylmethoxyphenyl)ethanol?
(1S)-1-(2-bromo-5-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 (1S)-1-(2-bromo-5-phenylmethoxyphenyl)ethanol is sourced from PubChem (CID 171991585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).