3-phenoxy-3H-furan-2-one

C10H8O3 — CID 11788579

IUPAC3-phenoxy-3H-furan-2-one
SMILESO=C1OC=CC1Oc1ccccc1
InChIInChI=1S/C10H8O3/c11-10-9(6-7-12-10)13-8-4-2-1-3-5-8/h1-7,9H
InChIKeyOPQHFWQKFWSJBM-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.50
Rot. Bonds2

About 3-phenoxy-3H-furan-2-one

3-phenoxy-3H-furan-2-one (PubChem CID 11788579) has the molecular formula C10H8O3 and a molecular weight of 176.17 g/mol. Its IUPAC name is 3-phenoxy-3H-furan-2-one.

Molecular Properties

Compound Name3-phenoxy-3H-furan-2-one
PubChem CID11788579
Molecular FormulaC10H8O3
Molecular Weight176.17 g/mol
Exact Mass176.05
IUPAC Name3-phenoxy-3H-furan-2-one
SMILESO=C1OC=CC1Oc1ccccc1
InChIInChI=1S/C10H8O3/c11-10-9(6-7-12-10)13-8-4-2-1-3-5-8/h1-7,9H
InChIKeyOPQHFWQKFWSJBM-UHFFFAOYSA-N
XLogP1.50
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenoxy-3H-furan-2-one?
The IUPAC name of 3-phenoxy-3H-furan-2-one (CID 11788579) is 3-phenoxy-3H-furan-2-one.
What is the SMILES notation for 3-phenoxy-3H-furan-2-one?
The canonical SMILES for 3-phenoxy-3H-furan-2-one is O=C1OC=CC1Oc1ccccc1.
What is the InChIKey of 3-phenoxy-3H-furan-2-one?
The InChIKey is OPQHFWQKFWSJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O3/c11-10-9(6-7-12-10)13-8-4-2-1-3-5-8/h1-7,9H.
What are the key properties of 3-phenoxy-3H-furan-2-one?
3-phenoxy-3H-furan-2-one has a molecular weight of 176.17 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxy-3H-furan-2-one is sourced from PubChem (CID 11788579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).