3-chloro-1-(5-ethylfuran-2-yl)but-3-en-1-ol

C10H13ClO2 — CID 24890410

IUPAC3-chloro-1-(5-ethylfuran-2-yl)but-3-en-1-ol
SMILESC=C(Cl)CC(O)c1ccc(CC)o1
InChIInChI=1S/C10H13ClO2/c1-3-8-4-5-10(13-8)9(12)6-7(2)11/h4-5,9,12H,2-3,6H2,1H3
InChIKeyIMVXUHQJLRTXOC-UHFFFAOYSA-N
MW200.66 g/mol
LogP3.02
Rot. Bonds4

About 3-chloro-1-(5-ethylfuran-2-yl)but-3-en-1-ol

3-chloro-1-(5-ethylfuran-2-yl)but-3-en-1-ol (PubChem CID 24890410) has the molecular formula C10H13ClO2 and a molecular weight of 200.66 g/mol. Its IUPAC name is 3-chloro-1-(5-ethylfuran-2-yl)but-3-en-1-ol.

Molecular Properties

Compound Name3-chloro-1-(5-ethylfuran-2-yl)but-3-en-1-ol
PubChem CID24890410
Molecular FormulaC10H13ClO2
Molecular Weight200.66 g/mol
Exact Mass200.06
IUPAC Name3-chloro-1-(5-ethylfuran-2-yl)but-3-en-1-ol
SMILESC=C(Cl)CC(O)c1ccc(CC)o1
InChIInChI=1S/C10H13ClO2/c1-3-8-4-5-10(13-8)9(12)6-7(2)11/h4-5,9,12H,2-3,6H2,1H3
InChIKeyIMVXUHQJLRTXOC-UHFFFAOYSA-N
XLogP3.02
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.66
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(5-ethylfuran-2-yl)but-3-en-1-ol?
The IUPAC name of 3-chloro-1-(5-ethylfuran-2-yl)but-3-en-1-ol (CID 24890410) is 3-chloro-1-(5-ethylfuran-2-yl)but-3-en-1-ol.
What is the SMILES notation for 3-chloro-1-(5-ethylfuran-2-yl)but-3-en-1-ol?
The canonical SMILES for 3-chloro-1-(5-ethylfuran-2-yl)but-3-en-1-ol is C=C(Cl)CC(O)c1ccc(CC)o1.
What is the InChIKey of 3-chloro-1-(5-ethylfuran-2-yl)but-3-en-1-ol?
The InChIKey is IMVXUHQJLRTXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO2/c1-3-8-4-5-10(13-8)9(12)6-7(2)11/h4-5,9,12H,2-3,6H2,1H3.
What are the key properties of 3-chloro-1-(5-ethylfuran-2-yl)but-3-en-1-ol?
3-chloro-1-(5-ethylfuran-2-yl)but-3-en-1-ol has a molecular weight of 200.66 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(5-ethylfuran-2-yl)but-3-en-1-ol is sourced from PubChem (CID 24890410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).