5-methoxy-1,3-bis(prop-2-enoxy)xanthen-9-one

C20H18O5 — CID 71334079

IUPAC5-methoxy-1,3-bis(prop-2-enoxy)xanthen-9-one
SMILESC=CCOc1cc(OCC=C)c2c(=O)c3cccc(OC)c3oc2c1
InChIInChI=1S/C20H18O5/c1-4-9-23-13-11-16(24-10-5-2)18-17(12-13)25-20-14(19(18)21)7-6-8-15(20)22-3/h4-8,11-12H,1-2,9-10H2,3H3
InChIKeyQUCMZUNPNBTJSK-UHFFFAOYSA-N
MW338.36 g/mol
LogP4.08
Rot. Bonds7

About 5-methoxy-1,3-bis(prop-2-enoxy)xanthen-9-one

5-methoxy-1,3-bis(prop-2-enoxy)xanthen-9-one (PubChem CID 71334079) has the molecular formula C20H18O5 and a molecular weight of 338.36 g/mol. Its IUPAC name is 5-methoxy-1,3-bis(prop-2-enoxy)xanthen-9-one.

Molecular Properties

Compound Name5-methoxy-1,3-bis(prop-2-enoxy)xanthen-9-one
PubChem CID71334079
Molecular FormulaC20H18O5
Molecular Weight338.36 g/mol
Exact Mass338.12
IUPAC Name5-methoxy-1,3-bis(prop-2-enoxy)xanthen-9-one
SMILESC=CCOc1cc(OCC=C)c2c(=O)c3cccc(OC)c3oc2c1
InChIInChI=1S/C20H18O5/c1-4-9-23-13-11-16(24-10-5-2)18-17(12-13)25-20-14(19(18)21)7-6-8-15(20)22-3/h4-8,11-12H,1-2,9-10H2,3H3
InChIKeyQUCMZUNPNBTJSK-UHFFFAOYSA-N
XLogP4.08
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2,3,4,5-tetramethoxy-1-prop-2-enoxyxanthen-9-one
CID 11280195
1,3-dihydroxy-5-methoxy-4-prop-2-enylxanthen-9-one
CID 20824988
3-(3-chloro-2-sulfanylpropoxy)-1-hydroxy-5-methoxyxanthen-9-one
CID 51038187
8-methoxybenzo[a]xanthen-12-one
CID 135193701
5-methoxy-4-methyl-7-prop-2-enoxychromen-2-one
CID 12900454
1,5-dihydroxy-3-methoxyxanthen-9-one
CID 5281651
1,3-bis(methoxymethoxy)-5,6-bis(2-methylbut-3-en-2-yloxy)xanthen-9-one
CID 11785001
1-hydroxy-3,4,5-trimethoxyxanthen-9-one
CID 72944463
1-methoxy-2,3-bis(prop-2-enoxy)benzene
CID 11160335
2-tert-butyl-5-methoxyxanthen-9-one
CID 164685848
1-ethenyl-4-methoxyxanthen-9-one
CID 11391100
4-iodo-3-prop-2-enoxyxanthen-9-one
CID 13162889

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1,3-bis(prop-2-enoxy)xanthen-9-one?
The IUPAC name of 5-methoxy-1,3-bis(prop-2-enoxy)xanthen-9-one (CID 71334079) is 5-methoxy-1,3-bis(prop-2-enoxy)xanthen-9-one.
What is the SMILES notation for 5-methoxy-1,3-bis(prop-2-enoxy)xanthen-9-one?
The canonical SMILES for 5-methoxy-1,3-bis(prop-2-enoxy)xanthen-9-one is C=CCOc1cc(OCC=C)c2c(=O)c3cccc(OC)c3oc2c1.
What is the InChIKey of 5-methoxy-1,3-bis(prop-2-enoxy)xanthen-9-one?
The InChIKey is QUCMZUNPNBTJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O5/c1-4-9-23-13-11-16(24-10-5-2)18-17(12-13)25-20-14(19(18)21)7-6-8-15(20)22-3/h4-8,11-12H,1-2,9-10H2,3H3.
What are the key properties of 5-methoxy-1,3-bis(prop-2-enoxy)xanthen-9-one?
5-methoxy-1,3-bis(prop-2-enoxy)xanthen-9-one has a molecular weight of 338.36 g/mol, XLogP of 4.08, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1,3-bis(prop-2-enoxy)xanthen-9-one is sourced from PubChem (CID 71334079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).