(1S)-1-[5-(4-bromophenyl)furan-2-yl]ethanol

C12H11BrO2 — CID 102192437

IUPAC(1S)-1-[5-(4-bromophenyl)furan-2-yl]ethanol
SMILESC[C@H](O)c1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C12H11BrO2/c1-8(14)11-6-7-12(15-11)9-2-4-10(13)5-3-9/h2-8,14H,1H3/t8-/m0/s1
InChIKeyPZDXBAOISNXPBB-QMMMGPOBSA-N
MW267.12 g/mol
LogP3.76
Rot. Bonds2

About (1S)-1-[5-(4-bromophenyl)furan-2-yl]ethanol

(1S)-1-[5-(4-bromophenyl)furan-2-yl]ethanol (PubChem CID 102192437) has the molecular formula C12H11BrO2 and a molecular weight of 267.12 g/mol. Its IUPAC name is (1S)-1-[5-(4-bromophenyl)furan-2-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[5-(4-bromophenyl)furan-2-yl]ethanol
PubChem CID102192437
Molecular FormulaC12H11BrO2
Molecular Weight267.12 g/mol
Exact Mass265.99
IUPAC Name(1S)-1-[5-(4-bromophenyl)furan-2-yl]ethanol
SMILESC[C@H](O)c1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C12H11BrO2/c1-8(14)11-6-7-12(15-11)9-2-4-10(13)5-3-9/h2-8,14H,1H3/t8-/m0/s1
InChIKeyPZDXBAOISNXPBB-QMMMGPOBSA-N
XLogP3.76
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.12
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-(4-bromophenyl)furan-2-yl]ethanol?
The IUPAC name of (1S)-1-[5-(4-bromophenyl)furan-2-yl]ethanol (CID 102192437) is (1S)-1-[5-(4-bromophenyl)furan-2-yl]ethanol.
What is the SMILES notation for (1S)-1-[5-(4-bromophenyl)furan-2-yl]ethanol?
The canonical SMILES for (1S)-1-[5-(4-bromophenyl)furan-2-yl]ethanol is C[C@H](O)c1ccc(-c2ccc(Br)cc2)o1.
What is the InChIKey of (1S)-1-[5-(4-bromophenyl)furan-2-yl]ethanol?
The InChIKey is PZDXBAOISNXPBB-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H11BrO2/c1-8(14)11-6-7-12(15-11)9-2-4-10(13)5-3-9/h2-8,14H,1H3/t8-/m0/s1.
What are the key properties of (1S)-1-[5-(4-bromophenyl)furan-2-yl]ethanol?
(1S)-1-[5-(4-bromophenyl)furan-2-yl]ethanol has a molecular weight of 267.12 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-(4-bromophenyl)furan-2-yl]ethanol is sourced from PubChem (CID 102192437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).