4-hydroxy-10-propylcycloocta[b]pyran-2-one

C14H14O3 — CID 54732105

IUPAC4-hydroxy-10-propylcycloocta[b]pyran-2-one
SMILESCCCC1=CC=CC=Cc2c(O)cc(=O)oc21
InChIInChI=1S/C14H14O3/c1-2-6-10-7-4-3-5-8-11-12(15)9-13(16)17-14(10)11/h3-5,7-9,15H,2,6H2,1H3
InChIKeyOGXJERAKZKFBHR-UHFFFAOYSA-N
MW230.26 g/mol
LogP3.11
Rot. Bonds2

About 4-hydroxy-10-propylcycloocta[b]pyran-2-one

4-hydroxy-10-propylcycloocta[b]pyran-2-one (PubChem CID 54732105) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is 4-hydroxy-10-propylcycloocta[b]pyran-2-one.

Molecular Properties

Compound Name4-hydroxy-10-propylcycloocta[b]pyran-2-one
PubChem CID54732105
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name4-hydroxy-10-propylcycloocta[b]pyran-2-one
SMILESCCCC1=CC=CC=Cc2c(O)cc(=O)oc21
InChIInChI=1S/C14H14O3/c1-2-6-10-7-4-3-5-8-11-12(15)9-13(16)17-14(10)11/h3-5,7-9,15H,2,6H2,1H3
InChIKeyOGXJERAKZKFBHR-UHFFFAOYSA-N
XLogP3.11
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-10-propylcycloocta[b]pyran-2-one?
The IUPAC name of 4-hydroxy-10-propylcycloocta[b]pyran-2-one (CID 54732105) is 4-hydroxy-10-propylcycloocta[b]pyran-2-one.
What is the SMILES notation for 4-hydroxy-10-propylcycloocta[b]pyran-2-one?
The canonical SMILES for 4-hydroxy-10-propylcycloocta[b]pyran-2-one is CCCC1=CC=CC=Cc2c(O)cc(=O)oc21.
What is the InChIKey of 4-hydroxy-10-propylcycloocta[b]pyran-2-one?
The InChIKey is OGXJERAKZKFBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3/c1-2-6-10-7-4-3-5-8-11-12(15)9-13(16)17-14(10)11/h3-5,7-9,15H,2,6H2,1H3.
What are the key properties of 4-hydroxy-10-propylcycloocta[b]pyran-2-one?
4-hydroxy-10-propylcycloocta[b]pyran-2-one has a molecular weight of 230.26 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-10-propylcycloocta[b]pyran-2-one is sourced from PubChem (CID 54732105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).