4,5-didecoxy-3-hydroxychromen-2-one

C29H46O5 — CID 19929140

IUPAC4,5-didecoxy-3-hydroxychromen-2-one
SMILESCCCCCCCCCCOc1cccc2oc(=O)c(O)c(OCCCCCCCCCC)c12
InChIInChI=1S/C29H46O5/c1-3-5-7-9-11-13-15-17-22-32-24-20-19-21-25-26(24)28(27(30)29(31)34-25)33-23-18-16-14-12-10-8-6-4-2/h19-21,30H,3-18,22-23H2,1-2H3
InChIKeyNAPKQFOVBXZLNB-UHFFFAOYSA-N
MW474.68 g/mol
LogP8.54
Rot. Bonds20

About 4,5-didecoxy-3-hydroxychromen-2-one

4,5-didecoxy-3-hydroxychromen-2-one (PubChem CID 19929140) has the molecular formula C29H46O5 and a molecular weight of 474.68 g/mol. Its IUPAC name is 4,5-didecoxy-3-hydroxychromen-2-one.

Molecular Properties

Compound Name4,5-didecoxy-3-hydroxychromen-2-one
PubChem CID19929140
Molecular FormulaC29H46O5
Molecular Weight474.68 g/mol
Exact Mass474.33
IUPAC Name4,5-didecoxy-3-hydroxychromen-2-one
SMILESCCCCCCCCCCOc1cccc2oc(=O)c(O)c(OCCCCCCCCCC)c12
InChIInChI=1S/C29H46O5/c1-3-5-7-9-11-13-15-17-22-32-24-20-19-21-25-26(24)28(27(30)29(31)34-25)33-23-18-16-14-12-10-8-6-4-2/h19-21,30H,3-18,22-23H2,1-2H3
InChIKeyNAPKQFOVBXZLNB-UHFFFAOYSA-N
XLogP8.54
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.68
LogP ≤ 58.54
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'}

Analyze 4,5-didecoxy-3-hydroxychromen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3,5-didecoxy-2-oxochromen-4-yl) acetate
CID 19929452
2-(3-heptoxy-4-hydroxy-2-oxochromen-5-yl)oxyacetic acid
CID 54696789
3-butoxy-4-hydroxy-5-(2-hydroxyethoxy)chromen-2-one
CID 54696663
5-(2,3-dihydroxypropoxy)-4-hydroxy-3-octoxychromen-2-one
CID 54696723
4-hydroxy-5-(3-hydroxypropoxy)-3-[(E)-oct-1-enoxy]chromen-2-one
CID 54696925
4-decoxy-5-hex-3-enoxy-3-propan-2-yloxychromen-2-one
CID 54306309
2,6-di(nonoxy)phenol
CID 22024876
2,6-diheptoxyphenol
CID 57426104
[3-decoxy-5-[(E)-hex-3-enoxy]-2-oxochromen-4-yl] benzoate
CID 19928955
1,5,9,10-tetra(tridecoxy)anthracene
CID 139930203
4-decoxy-3,5-bis(3,7-dimethylocta-2,6-dienoxy)chromen-2-one
CID 54265767
(4-decoxy-3-hex-3-enoxy-2-oxochromen-5-yl) acetate
CID 54365288

Frequently Asked Questions

What is the IUPAC name of 4,5-didecoxy-3-hydroxychromen-2-one?
The IUPAC name of 4,5-didecoxy-3-hydroxychromen-2-one (CID 19929140) is 4,5-didecoxy-3-hydroxychromen-2-one.
What is the SMILES notation for 4,5-didecoxy-3-hydroxychromen-2-one?
The canonical SMILES for 4,5-didecoxy-3-hydroxychromen-2-one is CCCCCCCCCCOc1cccc2oc(=O)c(O)c(OCCCCCCCCCC)c12.
What is the InChIKey of 4,5-didecoxy-3-hydroxychromen-2-one?
The InChIKey is NAPKQFOVBXZLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H46O5/c1-3-5-7-9-11-13-15-17-22-32-24-20-19-21-25-26(24)28(27(30)29(31)34-25)33-23-18-16-14-12-10-8-6-4-2/h19-21,30H,3-18,22-23H2,1-2H3.
What are the key properties of 4,5-didecoxy-3-hydroxychromen-2-one?
4,5-didecoxy-3-hydroxychromen-2-one has a molecular weight of 474.68 g/mol, XLogP of 8.54, 20 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-didecoxy-3-hydroxychromen-2-one is sourced from PubChem (CID 19929140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).