4-hydroxy-3-[3-(2-methoxyphenoxy)propyl]chromen-2-one

C19H18O5 — CID 54688503

IUPAC4-hydroxy-3-[3-(2-methoxyphenoxy)propyl]chromen-2-one
SMILESCOc1ccccc1OCCCc1c(O)c2ccccc2oc1=O
InChIInChI=1S/C19H18O5/c1-22-16-10-4-5-11-17(16)23-12-6-8-14-18(20)13-7-2-3-9-15(13)24-19(14)21/h2-5,7,9-11,20H,6,8,12H2,1H3
InChIKeyOSAWRYZTKWWVLR-UHFFFAOYSA-N
MW326.35 g/mol
LogP3.52
Rot. Bonds6

About 4-hydroxy-3-[3-(2-methoxyphenoxy)propyl]chromen-2-one

4-hydroxy-3-[3-(2-methoxyphenoxy)propyl]chromen-2-one (PubChem CID 54688503) has the molecular formula C19H18O5 and a molecular weight of 326.35 g/mol. Its IUPAC name is 4-hydroxy-3-[3-(2-methoxyphenoxy)propyl]chromen-2-one.

Molecular Properties

Compound Name4-hydroxy-3-[3-(2-methoxyphenoxy)propyl]chromen-2-one
PubChem CID54688503
Molecular FormulaC19H18O5
Molecular Weight326.35 g/mol
Exact Mass326.12
IUPAC Name4-hydroxy-3-[3-(2-methoxyphenoxy)propyl]chromen-2-one
SMILESCOc1ccccc1OCCCc1c(O)c2ccccc2oc1=O
InChIInChI=1S/C19H18O5/c1-22-16-10-4-5-11-17(16)23-12-6-8-14-18(20)13-7-2-3-9-15(13)24-19(14)21/h2-5,7,9-11,20H,6,8,12H2,1H3
InChIKeyOSAWRYZTKWWVLR-UHFFFAOYSA-N
XLogP3.52
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-3-[3-(2-methoxyphenoxy)propyl]chromen-2-one?
The IUPAC name of 4-hydroxy-3-[3-(2-methoxyphenoxy)propyl]chromen-2-one (CID 54688503) is 4-hydroxy-3-[3-(2-methoxyphenoxy)propyl]chromen-2-one.
What is the SMILES notation for 4-hydroxy-3-[3-(2-methoxyphenoxy)propyl]chromen-2-one?
The canonical SMILES for 4-hydroxy-3-[3-(2-methoxyphenoxy)propyl]chromen-2-one is COc1ccccc1OCCCc1c(O)c2ccccc2oc1=O.
What is the InChIKey of 4-hydroxy-3-[3-(2-methoxyphenoxy)propyl]chromen-2-one?
The InChIKey is OSAWRYZTKWWVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O5/c1-22-16-10-4-5-11-17(16)23-12-6-8-14-18(20)13-7-2-3-9-15(13)24-19(14)21/h2-5,7,9-11,20H,6,8,12H2,1H3.
What are the key properties of 4-hydroxy-3-[3-(2-methoxyphenoxy)propyl]chromen-2-one?
4-hydroxy-3-[3-(2-methoxyphenoxy)propyl]chromen-2-one has a molecular weight of 326.35 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[3-(2-methoxyphenoxy)propyl]chromen-2-one is sourced from PubChem (CID 54688503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).