(1S)-2-bromo-1-(4-phenylphenyl)ethanol

C14H13BrO — CID 13479158

IUPAC(1S)-2-bromo-1-(4-phenylphenyl)ethanol
SMILESO[C@H](CBr)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C14H13BrO/c15-10-14(16)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,14,16H,10H2/t14-/m1/s1
InChIKeyGFUNMPBYFCBUAG-CQSZACIVSA-N
MW277.16 g/mol
LogP3.78
Rot. Bonds3

About (1S)-2-bromo-1-(4-phenylphenyl)ethanol

(1S)-2-bromo-1-(4-phenylphenyl)ethanol (PubChem CID 13479158) has the molecular formula C14H13BrO and a molecular weight of 277.16 g/mol. Its IUPAC name is (1S)-2-bromo-1-(4-phenylphenyl)ethanol.

Molecular Properties

Compound Name(1S)-2-bromo-1-(4-phenylphenyl)ethanol
PubChem CID13479158
Molecular FormulaC14H13BrO
Molecular Weight277.16 g/mol
Exact Mass276.01
IUPAC Name(1S)-2-bromo-1-(4-phenylphenyl)ethanol
SMILESO[C@H](CBr)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C14H13BrO/c15-10-14(16)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,14,16H,10H2/t14-/m1/s1
InChIKeyGFUNMPBYFCBUAG-CQSZACIVSA-N
XLogP3.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.16
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-bromo-1-(4-phenylphenyl)ethanol
CID 13479157
1-[(2R)-1-bromopropan-2-yl]-4-phenylbenzene
CID 124511270
2-methylsulfanyl-1-(4-phenylphenyl)ethanol
CID 15033009
(2S)-2-bromo-2-deuterio-1-phenylethanol
CID 71507175
1,5-dibromo-2,4-bis(4-phenylphenyl)pentan-3-one
CID 141048792
2-(dipropylamino)-1-(4-phenylphenyl)ethanol
CID 82215884
2-ethylsulfanyl-1-(4-phenylphenyl)ethanol
CID 65455892
3-methyl-1-(4-phenylphenyl)pentan-1-ol
CID 65148669
(3S)-3-hydroxy-1-phenyl-3-(4-phenylphenyl)propan-1-one
CID 102595151
diphospazane;1-(4-phenylphenyl)propane-1,3-diol
CID 145407356
(1R)-2-azido-1-(4-phenylphenyl)ethanol
CID 83092866
2-(benzylamino)-1-(4-phenylphenyl)ethanol
CID 12526842

Frequently Asked Questions

What is the IUPAC name of (1S)-2-bromo-1-(4-phenylphenyl)ethanol?
The IUPAC name of (1S)-2-bromo-1-(4-phenylphenyl)ethanol (CID 13479158) is (1S)-2-bromo-1-(4-phenylphenyl)ethanol.
What is the SMILES notation for (1S)-2-bromo-1-(4-phenylphenyl)ethanol?
The canonical SMILES for (1S)-2-bromo-1-(4-phenylphenyl)ethanol is O[C@H](CBr)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (1S)-2-bromo-1-(4-phenylphenyl)ethanol?
The InChIKey is GFUNMPBYFCBUAG-CQSZACIVSA-N. The full InChI is InChI=1S/C14H13BrO/c15-10-14(16)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,14,16H,10H2/t14-/m1/s1.
What are the key properties of (1S)-2-bromo-1-(4-phenylphenyl)ethanol?
(1S)-2-bromo-1-(4-phenylphenyl)ethanol has a molecular weight of 277.16 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-bromo-1-(4-phenylphenyl)ethanol is sourced from PubChem (CID 13479158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).