7-hydroxychromen-2-one;7-hydroxy-6-methoxychromen-2-one

C19H14O7 — CID 158863716

IUPAC7-hydroxychromen-2-one;7-hydroxy-6-methoxychromen-2-one
SMILESCOc1cc2ccc(=O)oc2cc1O.O=c1ccc2ccc(O)cc2o1
InChIInChI=1S/C10H8O4.C9H6O3/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11;10-7-3-1-6-2-4-9(11)12-8(6)5-7/h2-5,11H,1H3;1-5,10H
InChIKeyJAYQROBPZXXWFV-UHFFFAOYSA-N
MW354.31 g/mol
LogP3.01
Rot. Bonds1

About 7-hydroxychromen-2-one;7-hydroxy-6-methoxychromen-2-one

7-hydroxychromen-2-one;7-hydroxy-6-methoxychromen-2-one (PubChem CID 158863716) has the molecular formula C19H14O7 and a molecular weight of 354.31 g/mol. Its IUPAC name is 7-hydroxychromen-2-one;7-hydroxy-6-methoxychromen-2-one.

Molecular Properties

Compound Name7-hydroxychromen-2-one;7-hydroxy-6-methoxychromen-2-one
PubChem CID158863716
Molecular FormulaC19H14O7
Molecular Weight354.31 g/mol
Exact Mass354.07
IUPAC Name7-hydroxychromen-2-one;7-hydroxy-6-methoxychromen-2-one
SMILESCOc1cc2ccc(=O)oc2cc1O.O=c1ccc2ccc(O)cc2o1
InChIInChI=1S/C10H8O4.C9H6O3/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11;10-7-3-1-6-2-4-9(11)12-8(6)5-7/h2-5,11H,1H3;1-5,10H
InChIKeyJAYQROBPZXXWFV-UHFFFAOYSA-N
XLogP3.01
TPSA110.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.31
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6,7-dimethoxychromen-2-one
CID 159563577
sodium;6,7-dimethoxychromen-2-one;chloride
CID 174522152
7-hydroxychromen-2-one;methyl dihydrogen phosphate
CID 87123175
acetic acid;7-hydroxychromen-2-one
CID 88810969
2,5-dihydroxy-4-methoxybenzaldehyde;6-hydroxy-7-methoxychromen-2-one
CID 160954791
7-hydroxy-3-(2-oxochromen-7-yl)oxychromen-2-one
CID 10925304
7-hydroxychromen-2-one;phosphoric acid
CID 87360141
6,7-dihydroxychromen-2-one
CID 5281416
7-hydroxy-6-(2-hydroxyphenoxy)chromen-2-one
CID 163056990
(7-methoxy-2-oxochromen-6-yl) hydrogen sulfate
CID 163085757
6,7-dihydroxychromen-2-one;phosphane
CID 175526881
7-ethoxy-6-hydroxychromen-2-one
CID 13031686

Frequently Asked Questions

What is the IUPAC name of 7-hydroxychromen-2-one;7-hydroxy-6-methoxychromen-2-one?
The IUPAC name of 7-hydroxychromen-2-one;7-hydroxy-6-methoxychromen-2-one (CID 158863716) is 7-hydroxychromen-2-one;7-hydroxy-6-methoxychromen-2-one.
What is the SMILES notation for 7-hydroxychromen-2-one;7-hydroxy-6-methoxychromen-2-one?
The canonical SMILES for 7-hydroxychromen-2-one;7-hydroxy-6-methoxychromen-2-one is COc1cc2ccc(=O)oc2cc1O.O=c1ccc2ccc(O)cc2o1.
What is the InChIKey of 7-hydroxychromen-2-one;7-hydroxy-6-methoxychromen-2-one?
The InChIKey is JAYQROBPZXXWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O4.C9H6O3/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11;10-7-3-1-6-2-4-9(11)12-8(6)5-7/h2-5,11H,1H3;1-5,10H.
What are the key properties of 7-hydroxychromen-2-one;7-hydroxy-6-methoxychromen-2-one?
7-hydroxychromen-2-one;7-hydroxy-6-methoxychromen-2-one has a molecular weight of 354.31 g/mol, XLogP of 3.01, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxychromen-2-one;7-hydroxy-6-methoxychromen-2-one is sourced from PubChem (CID 158863716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).