3-octoxy-2H-chromene-4,7-diol

C17H24O4 — CID 140980135

IUPAC3-octoxy-2H-chromene-4,7-diol
SMILESCCCCCCCCOC1=C(O)c2ccc(O)cc2OC1
InChIInChI=1S/C17H24O4/c1-2-3-4-5-6-7-10-20-16-12-21-15-11-13(18)8-9-14(15)17(16)19/h8-9,11,18-19H,2-7,10,12H2,1H3
InChIKeyOCPKJTAFKPXGND-UHFFFAOYSA-N
MW292.37 g/mol
LogP4.39
Rot. Bonds8

About 3-octoxy-2H-chromene-4,7-diol

3-octoxy-2H-chromene-4,7-diol (PubChem CID 140980135) has the molecular formula C17H24O4 and a molecular weight of 292.37 g/mol. Its IUPAC name is 3-octoxy-2H-chromene-4,7-diol.

Molecular Properties

Compound Name3-octoxy-2H-chromene-4,7-diol
PubChem CID140980135
Molecular FormulaC17H24O4
Molecular Weight292.37 g/mol
Exact Mass292.17
IUPAC Name3-octoxy-2H-chromene-4,7-diol
SMILESCCCCCCCCOC1=C(O)c2ccc(O)cc2OC1
InChIInChI=1S/C17H24O4/c1-2-3-4-5-6-7-10-20-16-12-21-15-11-13(18)8-9-14(15)17(16)19/h8-9,11,18-19H,2-7,10,12H2,1H3
InChIKeyOCPKJTAFKPXGND-UHFFFAOYSA-N
XLogP4.39
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-octoxy-2H-chromene-4,7-diol?
The IUPAC name of 3-octoxy-2H-chromene-4,7-diol (CID 140980135) is 3-octoxy-2H-chromene-4,7-diol.
What is the SMILES notation for 3-octoxy-2H-chromene-4,7-diol?
The canonical SMILES for 3-octoxy-2H-chromene-4,7-diol is CCCCCCCCOC1=C(O)c2ccc(O)cc2OC1.
What is the InChIKey of 3-octoxy-2H-chromene-4,7-diol?
The InChIKey is OCPKJTAFKPXGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O4/c1-2-3-4-5-6-7-10-20-16-12-21-15-11-13(18)8-9-14(15)17(16)19/h8-9,11,18-19H,2-7,10,12H2,1H3.
What are the key properties of 3-octoxy-2H-chromene-4,7-diol?
3-octoxy-2H-chromene-4,7-diol has a molecular weight of 292.37 g/mol, XLogP of 4.39, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-octoxy-2H-chromene-4,7-diol is sourced from PubChem (CID 140980135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).