(E)-3-(3-bromofuran-2-yl)prop-2-en-1-ol

C7H7BrO2 — CID 106889667

IUPAC(E)-3-(3-bromofuran-2-yl)prop-2-en-1-ol
SMILESOC/C=C/c1occc1Br
InChIInChI=1S/C7H7BrO2/c8-6-3-5-10-7(6)2-1-4-9/h1-3,5,9H,4H2/b2-1+
InChIKeyGXOYKUIRLLDUDZ-OWOJBTEDSA-N
MW203.03 g/mol
LogP2.05
Rot. Bonds2

About (E)-3-(3-bromofuran-2-yl)prop-2-en-1-ol

(E)-3-(3-bromofuran-2-yl)prop-2-en-1-ol (PubChem CID 106889667) has the molecular formula C7H7BrO2 and a molecular weight of 203.03 g/mol. Its IUPAC name is (E)-3-(3-bromofuran-2-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-(3-bromofuran-2-yl)prop-2-en-1-ol
PubChem CID106889667
Molecular FormulaC7H7BrO2
Molecular Weight203.03 g/mol
Exact Mass201.96
IUPAC Name(E)-3-(3-bromofuran-2-yl)prop-2-en-1-ol
SMILESOC/C=C/c1occc1Br
InChIInChI=1S/C7H7BrO2/c8-6-3-5-10-7(6)2-1-4-9/h1-3,5,9H,4H2/b2-1+
InChIKeyGXOYKUIRLLDUDZ-OWOJBTEDSA-N
XLogP2.05
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.03
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-bromofuran-2-yl)prop-2-en-1-ol?
The IUPAC name of (E)-3-(3-bromofuran-2-yl)prop-2-en-1-ol (CID 106889667) is (E)-3-(3-bromofuran-2-yl)prop-2-en-1-ol.
What is the SMILES notation for (E)-3-(3-bromofuran-2-yl)prop-2-en-1-ol?
The canonical SMILES for (E)-3-(3-bromofuran-2-yl)prop-2-en-1-ol is OC/C=C/c1occc1Br.
What is the InChIKey of (E)-3-(3-bromofuran-2-yl)prop-2-en-1-ol?
The InChIKey is GXOYKUIRLLDUDZ-OWOJBTEDSA-N. The full InChI is InChI=1S/C7H7BrO2/c8-6-3-5-10-7(6)2-1-4-9/h1-3,5,9H,4H2/b2-1+.
What are the key properties of (E)-3-(3-bromofuran-2-yl)prop-2-en-1-ol?
(E)-3-(3-bromofuran-2-yl)prop-2-en-1-ol has a molecular weight of 203.03 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-bromofuran-2-yl)prop-2-en-1-ol is sourced from PubChem (CID 106889667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).