6-decoxy-3-hydroxy-4-methoxychromen-2-one

C20H28O5 — CID 19929351

IUPAC6-decoxy-3-hydroxy-4-methoxychromen-2-one
SMILESCCCCCCCCCCOc1ccc2oc(=O)c(O)c(OC)c2c1
InChIInChI=1S/C20H28O5/c1-3-4-5-6-7-8-9-10-13-24-15-11-12-17-16(14-15)19(23-2)18(21)20(22)25-17/h11-12,14,21H,3-10,13H2,1-2H3
InChIKeyUEOXTGPUAIKYLY-UHFFFAOYSA-N
MW348.44 g/mol
LogP5.03
Rot. Bonds11

About 6-decoxy-3-hydroxy-4-methoxychromen-2-one

6-decoxy-3-hydroxy-4-methoxychromen-2-one (PubChem CID 19929351) has the molecular formula C20H28O5 and a molecular weight of 348.44 g/mol. Its IUPAC name is 6-decoxy-3-hydroxy-4-methoxychromen-2-one.

Molecular Properties

Compound Name6-decoxy-3-hydroxy-4-methoxychromen-2-one
PubChem CID19929351
Molecular FormulaC20H28O5
Molecular Weight348.44 g/mol
Exact Mass348.19
IUPAC Name6-decoxy-3-hydroxy-4-methoxychromen-2-one
SMILESCCCCCCCCCCOc1ccc2oc(=O)c(O)c(OC)c2c1
InChIInChI=1S/C20H28O5/c1-3-4-5-6-7-8-9-10-13-24-15-11-12-17-16(14-15)19(23-2)18(21)20(22)25-17/h11-12,14,21H,3-10,13H2,1-2H3
InChIKeyUEOXTGPUAIKYLY-UHFFFAOYSA-N
XLogP5.03
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.44
LogP ≤ 55.03
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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Related Compounds

(6-decoxy-4-hydroxy-2-oxochromen-3-yl) acetate
CID 54690561
4-hydroxy-6-(5-hydroxy-3-oxopentoxy)-3-octoxychromen-2-one
CID 174454221
3-hexoxy-4-hydroxy-7-methoxychromen-2-one
CID 54694152
3,8-dioctoxybenzo[c]chromen-6-one
CID 150150540
2-(4-hydroxy-2-oxo-3-pentoxychromen-6-yl)oxyacetic acid
CID 54696667
6-decoxy-4-methylchromen-2-one
CID 3818631
3-hydroxy-4-methoxy-7-octoxy-1H-quinolin-2-one
CID 139717151
3-hex-1-enyl-4-hydroxy-6-(4-hydroxybutoxy)chromen-2-one
CID 174454232
6-(3,4-dihydroxybutoxy)-4-hydroxy-3-methoxychromen-2-one
CID 54697017
3-(4-hydroxy-3-octoxy-2-oxochromen-7-yl)oxypropyl acetate
CID 54694186
7,17-dihexoxy-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene
CID 102053272
4,5-didecoxy-3-hydroxychromen-2-one
CID 19929140

Frequently Asked Questions

What is the IUPAC name of 6-decoxy-3-hydroxy-4-methoxychromen-2-one?
The IUPAC name of 6-decoxy-3-hydroxy-4-methoxychromen-2-one (CID 19929351) is 6-decoxy-3-hydroxy-4-methoxychromen-2-one.
What is the SMILES notation for 6-decoxy-3-hydroxy-4-methoxychromen-2-one?
The canonical SMILES for 6-decoxy-3-hydroxy-4-methoxychromen-2-one is CCCCCCCCCCOc1ccc2oc(=O)c(O)c(OC)c2c1.
What is the InChIKey of 6-decoxy-3-hydroxy-4-methoxychromen-2-one?
The InChIKey is UEOXTGPUAIKYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28O5/c1-3-4-5-6-7-8-9-10-13-24-15-11-12-17-16(14-15)19(23-2)18(21)20(22)25-17/h11-12,14,21H,3-10,13H2,1-2H3.
What are the key properties of 6-decoxy-3-hydroxy-4-methoxychromen-2-one?
6-decoxy-3-hydroxy-4-methoxychromen-2-one has a molecular weight of 348.44 g/mol, XLogP of 5.03, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-decoxy-3-hydroxy-4-methoxychromen-2-one is sourced from PubChem (CID 19929351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).