1-hydroxy-10,12-dimethoxy-6-oxonaphtho[1,2-c]isochromene-8-carbaldehyde

C20H14O6 — CID 71485237

IUPAC1-hydroxy-10,12-dimethoxy-6-oxonaphtho[1,2-c]isochromene-8-carbaldehyde
SMILESCOc1cc2c(oc(=O)c3cc(C=O)cc(OC)c32)c2cccc(O)c12
InChIInChI=1S/C20H14O6/c1-24-15-7-10(9-21)6-13-17(15)12-8-16(25-2)18-11(4-3-5-14(18)22)19(12)26-20(13)23/h3-9,22H,1-2H3
InChIKeyQLELAEWJHLXWEZ-UHFFFAOYSA-N
MW350.33 g/mol
LogP3.63
Rot. Bonds3

About 1-hydroxy-10,12-dimethoxy-6-oxonaphtho[1,2-c]isochromene-8-carbaldehyde

1-hydroxy-10,12-dimethoxy-6-oxonaphtho[1,2-c]isochromene-8-carbaldehyde (PubChem CID 71485237) has the molecular formula C20H14O6 and a molecular weight of 350.33 g/mol. Its IUPAC name is 1-hydroxy-10,12-dimethoxy-6-oxonaphtho[1,2-c]isochromene-8-carbaldehyde.

Molecular Properties

Compound Name1-hydroxy-10,12-dimethoxy-6-oxonaphtho[1,2-c]isochromene-8-carbaldehyde
PubChem CID71485237
Molecular FormulaC20H14O6
Molecular Weight350.33 g/mol
Exact Mass350.08
IUPAC Name1-hydroxy-10,12-dimethoxy-6-oxonaphtho[1,2-c]isochromene-8-carbaldehyde
SMILESCOc1cc2c(oc(=O)c3cc(C=O)cc(OC)c32)c2cccc(O)c12
InChIInChI=1S/C20H14O6/c1-24-15-7-10(9-21)6-13-17(15)12-8-16(25-2)18-11(4-3-5-14(18)22)19(12)26-20(13)23/h3-9,22H,1-2H3
InChIKeyQLELAEWJHLXWEZ-UHFFFAOYSA-N
XLogP3.63
TPSA85.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

8-ethenyl-1-hydroxy-10,12-dimethoxy-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)naphtho[1,2-c]isochromen-6-one
CID 19354549
4-[(2S,3S,4S,5R)-3,4-dihydroxy-5-[(1S)-1-hydroxyethyl]oxolan-2-yl]-8-ethenyl-1-hydroxy-10,12-dimethoxynaphtho[1,2-c]isochromen-6-one
CID 124578554
4,6-dimethoxydibenzofuran-2-carbaldehyde
CID 23559359
[4-(dimethylamino)-6-(8-ethenyl-1-hydroxy-10,12-dimethoxy-6-oxonaphtho[1,2-c]isochromen-4-yl)-5-hydroxy-2-methyloxan-3-yl] acetate
CID 13121987
3-hydroxy-4,10-dimethoxy-1-methylbenzo[c]chromen-6-one
CID 171935993
1-hydroxy-10,12-dimethoxy-8-methyl-4-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-4,6-dimethyloxan-2-yl]naphtho[1,2-c]isochromen-6-one
CID 42052116
1-hydroxy-10,12-dimethoxy-8-methyl-4-[(2S,4S,5S)-3,4,5-trihydroxy-4,6-dimethyloxan-2-yl]naphtho[1,2-c]isochromen-6-one
CID 170996845
1-[3-(dimethylamino)propanoyl]-8-ethenyl-10-methoxy-12-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]naphtho[1,2-c]isochromen-6-one
CID 139664401
8-hydroxy-9,10-dimethoxyanthracene-2-carbaldehyde
CID 163029200
1-hydroxy-10-methoxybenzo[c][1]benzoxepine-6,11-dione
CID 139586019
11-chloro-1-hydroxy-12-methoxynaphtho[1,2-c]isochromen-6-one
CID 146018204
4-hydroxy-6,7-dimethoxy-8-methylnaphthalene-2-carbaldehyde
CID 89007750

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-10,12-dimethoxy-6-oxonaphtho[1,2-c]isochromene-8-carbaldehyde?
The IUPAC name of 1-hydroxy-10,12-dimethoxy-6-oxonaphtho[1,2-c]isochromene-8-carbaldehyde (CID 71485237) is 1-hydroxy-10,12-dimethoxy-6-oxonaphtho[1,2-c]isochromene-8-carbaldehyde.
What is the SMILES notation for 1-hydroxy-10,12-dimethoxy-6-oxonaphtho[1,2-c]isochromene-8-carbaldehyde?
The canonical SMILES for 1-hydroxy-10,12-dimethoxy-6-oxonaphtho[1,2-c]isochromene-8-carbaldehyde is COc1cc2c(oc(=O)c3cc(C=O)cc(OC)c32)c2cccc(O)c12.
What is the InChIKey of 1-hydroxy-10,12-dimethoxy-6-oxonaphtho[1,2-c]isochromene-8-carbaldehyde?
The InChIKey is QLELAEWJHLXWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O6/c1-24-15-7-10(9-21)6-13-17(15)12-8-16(25-2)18-11(4-3-5-14(18)22)19(12)26-20(13)23/h3-9,22H,1-2H3.
What are the key properties of 1-hydroxy-10,12-dimethoxy-6-oxonaphtho[1,2-c]isochromene-8-carbaldehyde?
1-hydroxy-10,12-dimethoxy-6-oxonaphtho[1,2-c]isochromene-8-carbaldehyde has a molecular weight of 350.33 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-10,12-dimethoxy-6-oxonaphtho[1,2-c]isochromene-8-carbaldehyde is sourced from PubChem (CID 71485237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).