3-hydroxy-6-propyl-2,3-dihydrochromen-4-one

C12H14O3 — CID 67687821

IUPAC3-hydroxy-6-propyl-2,3-dihydrochromen-4-one
SMILESCCCc1ccc2c(c1)C(=O)C(O)CO2
InChIInChI=1S/C12H14O3/c1-2-3-8-4-5-11-9(6-8)12(14)10(13)7-15-11/h4-6,10,13H,2-3,7H2,1H3
InChIKeyHKUJJMPUSACZTM-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.58
Rot. Bonds2

About 3-hydroxy-6-propyl-2,3-dihydrochromen-4-one

3-hydroxy-6-propyl-2,3-dihydrochromen-4-one (PubChem CID 67687821) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 3-hydroxy-6-propyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name3-hydroxy-6-propyl-2,3-dihydrochromen-4-one
PubChem CID67687821
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name3-hydroxy-6-propyl-2,3-dihydrochromen-4-one
SMILESCCCc1ccc2c(c1)C(=O)C(O)CO2
InChIInChI=1S/C12H14O3/c1-2-3-8-4-5-11-9(6-8)12(14)10(13)7-15-11/h4-6,10,13H,2-3,7H2,1H3
InChIKeyHKUJJMPUSACZTM-UHFFFAOYSA-N
XLogP1.58
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-propyl-2,3-dihydrochromen-4-one?
The IUPAC name of 3-hydroxy-6-propyl-2,3-dihydrochromen-4-one (CID 67687821) is 3-hydroxy-6-propyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 3-hydroxy-6-propyl-2,3-dihydrochromen-4-one?
The canonical SMILES for 3-hydroxy-6-propyl-2,3-dihydrochromen-4-one is CCCc1ccc2c(c1)C(=O)C(O)CO2.
What is the InChIKey of 3-hydroxy-6-propyl-2,3-dihydrochromen-4-one?
The InChIKey is HKUJJMPUSACZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-2-3-8-4-5-11-9(6-8)12(14)10(13)7-15-11/h4-6,10,13H,2-3,7H2,1H3.
What are the key properties of 3-hydroxy-6-propyl-2,3-dihydrochromen-4-one?
3-hydroxy-6-propyl-2,3-dihydrochromen-4-one has a molecular weight of 206.24 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-propyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 67687821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).