4-hydroxy-7-(2-hydroxyethoxy)-3-octan-3-yloxychromen-2-one

C19H26O6 — CID 54696756

IUPAC4-hydroxy-7-(2-hydroxyethoxy)-3-octan-3-yloxychromen-2-one
SMILESCCCCCC(CC)Oc1c(O)c2ccc(OCCO)cc2oc1=O
InChIInChI=1S/C19H26O6/c1-3-5-6-7-13(4-2)24-18-17(21)15-9-8-14(23-11-10-20)12-16(15)25-19(18)22/h8-9,12-13,20-21H,3-7,10-11H2,1-2H3
InChIKeyMYSYWACDKOKXRH-UHFFFAOYSA-N
MW350.41 g/mol
LogP3.61
Rot. Bonds10

About 4-hydroxy-7-(2-hydroxyethoxy)-3-octan-3-yloxychromen-2-one

4-hydroxy-7-(2-hydroxyethoxy)-3-octan-3-yloxychromen-2-one (PubChem CID 54696756) has the molecular formula C19H26O6 and a molecular weight of 350.41 g/mol. Its IUPAC name is 4-hydroxy-7-(2-hydroxyethoxy)-3-octan-3-yloxychromen-2-one.

Molecular Properties

Compound Name4-hydroxy-7-(2-hydroxyethoxy)-3-octan-3-yloxychromen-2-one
PubChem CID54696756
Molecular FormulaC19H26O6
Molecular Weight350.41 g/mol
Exact Mass350.17
IUPAC Name4-hydroxy-7-(2-hydroxyethoxy)-3-octan-3-yloxychromen-2-one
SMILESCCCCCC(CC)Oc1c(O)c2ccc(OCCO)cc2oc1=O
InChIInChI=1S/C19H26O6/c1-3-5-6-7-13(4-2)24-18-17(21)15-9-8-14(23-11-10-20)12-16(15)25-19(18)22/h8-9,12-13,20-21H,3-7,10-11H2,1-2H3
InChIKeyMYSYWACDKOKXRH-UHFFFAOYSA-N
XLogP3.61
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-7-(2-hydroxyethoxy)-3-octan-3-yloxychromen-2-one?
The IUPAC name of 4-hydroxy-7-(2-hydroxyethoxy)-3-octan-3-yloxychromen-2-one (CID 54696756) is 4-hydroxy-7-(2-hydroxyethoxy)-3-octan-3-yloxychromen-2-one.
What is the SMILES notation for 4-hydroxy-7-(2-hydroxyethoxy)-3-octan-3-yloxychromen-2-one?
The canonical SMILES for 4-hydroxy-7-(2-hydroxyethoxy)-3-octan-3-yloxychromen-2-one is CCCCCC(CC)Oc1c(O)c2ccc(OCCO)cc2oc1=O.
What is the InChIKey of 4-hydroxy-7-(2-hydroxyethoxy)-3-octan-3-yloxychromen-2-one?
The InChIKey is MYSYWACDKOKXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O6/c1-3-5-6-7-13(4-2)24-18-17(21)15-9-8-14(23-11-10-20)12-16(15)25-19(18)22/h8-9,12-13,20-21H,3-7,10-11H2,1-2H3.
What are the key properties of 4-hydroxy-7-(2-hydroxyethoxy)-3-octan-3-yloxychromen-2-one?
4-hydroxy-7-(2-hydroxyethoxy)-3-octan-3-yloxychromen-2-one has a molecular weight of 350.41 g/mol, XLogP of 3.61, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-7-(2-hydroxyethoxy)-3-octan-3-yloxychromen-2-one is sourced from PubChem (CID 54696756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).