2,5-dihydroxy-4-methoxybenzaldehyde;6-hydroxy-7-methoxychromen-2-one

C18H16O8 — CID 160954791

IUPAC2,5-dihydroxy-4-methoxybenzaldehyde;6-hydroxy-7-methoxychromen-2-one
SMILESCOc1cc(O)c(C=O)cc1O.COc1cc2oc(=O)ccc2cc1O
InChIInChI=1S/C10H8O4.C8H8O4/c1-13-9-5-8-6(4-7(9)11)2-3-10(12)14-8;1-12-8-3-6(10)5(4-9)2-7(8)11/h2-5,11H,1H3;2-4,10-11H,1H3
InChIKeySWFYUOYDPMSLPS-UHFFFAOYSA-N
MW360.32 g/mol
LogP2.43
Rot. Bonds3

About 2,5-dihydroxy-4-methoxybenzaldehyde;6-hydroxy-7-methoxychromen-2-one

2,5-dihydroxy-4-methoxybenzaldehyde;6-hydroxy-7-methoxychromen-2-one (PubChem CID 160954791) has the molecular formula C18H16O8 and a molecular weight of 360.32 g/mol. Its IUPAC name is 2,5-dihydroxy-4-methoxybenzaldehyde;6-hydroxy-7-methoxychromen-2-one.

Molecular Properties

Compound Name2,5-dihydroxy-4-methoxybenzaldehyde;6-hydroxy-7-methoxychromen-2-one
PubChem CID160954791
Molecular FormulaC18H16O8
Molecular Weight360.32 g/mol
Exact Mass360.08
IUPAC Name2,5-dihydroxy-4-methoxybenzaldehyde;6-hydroxy-7-methoxychromen-2-one
SMILESCOc1cc(O)c(C=O)cc1O.COc1cc2oc(=O)ccc2cc1O
InChIInChI=1S/C10H8O4.C8H8O4/c1-13-9-5-8-6(4-7(9)11)2-3-10(12)14-8;1-12-8-3-6(10)5(4-9)2-7(8)11/h2-5,11H,1H3;2-4,10-11H,1H3
InChIKeySWFYUOYDPMSLPS-UHFFFAOYSA-N
XLogP2.43
TPSA126.43 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.32
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

7-hydroxychromen-2-one;7-hydroxy-6-methoxychromen-2-one
CID 158863716
6,7-dimethoxychromen-2-one
CID 159563577
sodium;6,7-dimethoxychromen-2-one;chloride
CID 174522152
7-ethoxy-6-hydroxychromen-2-one
CID 13031686
6,7-dihydroxychromen-2-one
CID 5281416
6-hydroxy-7-propoxychromen-2-one
CID 101030918
6,7-dihydroxychromen-2-one;phosphane
CID 175526881
6-hydroxy-7-(2-methylbut-3-en-2-yloxy)chromen-2-one
CID 71318720
7-hydroxy-8-methoxy-2-oxochromene-6-carbaldehyde
CID 15108317
(7-methoxy-2-oxochromen-6-yl) hydrogen sulfate
CID 163085757
6-hydroxy-7-[(E)-4-hydroxy-3-methylbut-2-enoxy]chromen-2-one
CID 102187242
7-(2-fluoro-2-methylpropoxy)-6-hydroxychromen-2-one
CID 86273030

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroxy-4-methoxybenzaldehyde;6-hydroxy-7-methoxychromen-2-one?
The IUPAC name of 2,5-dihydroxy-4-methoxybenzaldehyde;6-hydroxy-7-methoxychromen-2-one (CID 160954791) is 2,5-dihydroxy-4-methoxybenzaldehyde;6-hydroxy-7-methoxychromen-2-one.
What is the SMILES notation for 2,5-dihydroxy-4-methoxybenzaldehyde;6-hydroxy-7-methoxychromen-2-one?
The canonical SMILES for 2,5-dihydroxy-4-methoxybenzaldehyde;6-hydroxy-7-methoxychromen-2-one is COc1cc(O)c(C=O)cc1O.COc1cc2oc(=O)ccc2cc1O.
What is the InChIKey of 2,5-dihydroxy-4-methoxybenzaldehyde;6-hydroxy-7-methoxychromen-2-one?
The InChIKey is SWFYUOYDPMSLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O4.C8H8O4/c1-13-9-5-8-6(4-7(9)11)2-3-10(12)14-8;1-12-8-3-6(10)5(4-9)2-7(8)11/h2-5,11H,1H3;2-4,10-11H,1H3.
What are the key properties of 2,5-dihydroxy-4-methoxybenzaldehyde;6-hydroxy-7-methoxychromen-2-one?
2,5-dihydroxy-4-methoxybenzaldehyde;6-hydroxy-7-methoxychromen-2-one has a molecular weight of 360.32 g/mol, XLogP of 2.43, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydroxy-4-methoxybenzaldehyde;6-hydroxy-7-methoxychromen-2-one is sourced from PubChem (CID 160954791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).