(2R)-2-(2-bromophenyl)sulfanyl-2-(furan-2-yl)ethanol

C12H11BrO2S — CID 125483370

IUPAC(2R)-2-(2-bromophenyl)sulfanyl-2-(furan-2-yl)ethanol
SMILESOC[C@@H](Sc1ccccc1Br)c1ccco1
InChIInChI=1S/C12H11BrO2S/c13-9-4-1-2-6-11(9)16-12(8-14)10-5-3-7-15-10/h1-7,12,14H,8H2/t12-/m1/s1
InChIKeyKYJDNQOUENPURZ-GFCCVEGCSA-N
MW299.19 g/mol
LogP3.87
Rot. Bonds4

About (2R)-2-(2-bromophenyl)sulfanyl-2-(furan-2-yl)ethanol

(2R)-2-(2-bromophenyl)sulfanyl-2-(furan-2-yl)ethanol (PubChem CID 125483370) has the molecular formula C12H11BrO2S and a molecular weight of 299.19 g/mol. Its IUPAC name is (2R)-2-(2-bromophenyl)sulfanyl-2-(furan-2-yl)ethanol.

Molecular Properties

Compound Name(2R)-2-(2-bromophenyl)sulfanyl-2-(furan-2-yl)ethanol
PubChem CID125483370
Molecular FormulaC12H11BrO2S
Molecular Weight299.19 g/mol
Exact Mass297.97
IUPAC Name(2R)-2-(2-bromophenyl)sulfanyl-2-(furan-2-yl)ethanol
SMILESOC[C@@H](Sc1ccccc1Br)c1ccco1
InChIInChI=1S/C12H11BrO2S/c13-9-4-1-2-6-11(9)16-12(8-14)10-5-3-7-15-10/h1-7,12,14H,8H2/t12-/m1/s1
InChIKeyKYJDNQOUENPURZ-GFCCVEGCSA-N
XLogP3.87
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.19
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(2-bromophenyl)-1-(furan-2-yl)-3-oxopropyl]sulfanylacetic acid
CID 46910820
1-(3-bromofuran-2-yl)-2-(2-bromophenyl)sulfanylethanol
CID 66142888
2-amino-2-(furan-2-yl)ethanol
CID 54048773
3-[2-amino-1-(furan-2-yl)ethyl]sulfanyl-2-methylpropan-1-ol
CID 66105967
(1R,2R)-1-(furan-2-yl)-2-methylpropane-1,3-diol
CID 11957999
(2S)-2-[(5-bromo-4-methyl-2-pyridinyl)amino]-2-(furan-2-yl)ethanol
CID 99776461
(3S)-3-amino-2,2-difluoro-3-(furan-2-yl)propan-1-ol
CID 130700545
3-amino-3-(furan-2-yl)-2,2-dimethylpropan-1-ol
CID 130059387
1,4-bis(furan-2-yl)but-2-yne-1,4-diol
CID 565624
2-(2-bromophenyl)-2-(furan-2-ylmethylsulfanyl)ethanamine
CID 55021927
3-(furan-2-yl)-4-hydroxybutanal
CID 135002248
furan-2-ylmethanol;propane-1,2,3-triol
CID 90073658

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-bromophenyl)sulfanyl-2-(furan-2-yl)ethanol?
The IUPAC name of (2R)-2-(2-bromophenyl)sulfanyl-2-(furan-2-yl)ethanol (CID 125483370) is (2R)-2-(2-bromophenyl)sulfanyl-2-(furan-2-yl)ethanol.
What is the SMILES notation for (2R)-2-(2-bromophenyl)sulfanyl-2-(furan-2-yl)ethanol?
The canonical SMILES for (2R)-2-(2-bromophenyl)sulfanyl-2-(furan-2-yl)ethanol is OC[C@@H](Sc1ccccc1Br)c1ccco1.
What is the InChIKey of (2R)-2-(2-bromophenyl)sulfanyl-2-(furan-2-yl)ethanol?
The InChIKey is KYJDNQOUENPURZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H11BrO2S/c13-9-4-1-2-6-11(9)16-12(8-14)10-5-3-7-15-10/h1-7,12,14H,8H2/t12-/m1/s1.
What are the key properties of (2R)-2-(2-bromophenyl)sulfanyl-2-(furan-2-yl)ethanol?
(2R)-2-(2-bromophenyl)sulfanyl-2-(furan-2-yl)ethanol has a molecular weight of 299.19 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-bromophenyl)sulfanyl-2-(furan-2-yl)ethanol is sourced from PubChem (CID 125483370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).