2,3-dihydrofuran-4-yl-(1-hydroxycyclohexyl)methanone

C11H16O3 — CID 130579361

IUPAC2,3-dihydrofuran-4-yl-(1-hydroxycyclohexyl)methanone
SMILESO=C(C1=COCC1)C1(O)CCCCC1
InChIInChI=1S/C11H16O3/c12-10(9-4-7-14-8-9)11(13)5-2-1-3-6-11/h8,13H,1-7H2
InChIKeySFBFHZXMPOKWDS-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.55
Rot. Bonds2

About 2,3-dihydrofuran-4-yl-(1-hydroxycyclohexyl)methanone

2,3-dihydrofuran-4-yl-(1-hydroxycyclohexyl)methanone (PubChem CID 130579361) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2,3-dihydrofuran-4-yl-(1-hydroxycyclohexyl)methanone.

Molecular Properties

Compound Name2,3-dihydrofuran-4-yl-(1-hydroxycyclohexyl)methanone
PubChem CID130579361
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name2,3-dihydrofuran-4-yl-(1-hydroxycyclohexyl)methanone
SMILESO=C(C1=COCC1)C1(O)CCCCC1
InChIInChI=1S/C11H16O3/c12-10(9-4-7-14-8-9)11(13)5-2-1-3-6-11/h8,13H,1-7H2
InChIKeySFBFHZXMPOKWDS-UHFFFAOYSA-N
XLogP1.55
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrofuran-4-yl-(1-hydroxycyclohexyl)methanone?
The IUPAC name of 2,3-dihydrofuran-4-yl-(1-hydroxycyclohexyl)methanone (CID 130579361) is 2,3-dihydrofuran-4-yl-(1-hydroxycyclohexyl)methanone.
What is the SMILES notation for 2,3-dihydrofuran-4-yl-(1-hydroxycyclohexyl)methanone?
The canonical SMILES for 2,3-dihydrofuran-4-yl-(1-hydroxycyclohexyl)methanone is O=C(C1=COCC1)C1(O)CCCCC1.
What is the InChIKey of 2,3-dihydrofuran-4-yl-(1-hydroxycyclohexyl)methanone?
The InChIKey is SFBFHZXMPOKWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c12-10(9-4-7-14-8-9)11(13)5-2-1-3-6-11/h8,13H,1-7H2.
What are the key properties of 2,3-dihydrofuran-4-yl-(1-hydroxycyclohexyl)methanone?
2,3-dihydrofuran-4-yl-(1-hydroxycyclohexyl)methanone has a molecular weight of 196.25 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrofuran-4-yl-(1-hydroxycyclohexyl)methanone is sourced from PubChem (CID 130579361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).