2,4-dimethoxy-6H-isochromeno[4,3-c]chromen-11-one

C18H14O5 — CID 15552556

IUPAC2,4-dimethoxy-6H-isochromeno[4,3-c]chromen-11-one
SMILESCOc1cc(OC)c2c3c(c(=O)oc2c1)-c1ccccc1CO3
InChIInChI=1S/C18H14O5/c1-20-11-7-13(21-2)16-14(8-11)23-18(19)15-12-6-4-3-5-10(12)9-22-17(15)16/h3-8H,9H2,1-2H3
InChIKeyPJVZCOYTCMGTQC-UHFFFAOYSA-N
MW310.31 g/mol
LogP3.37
Rot. Bonds2

About 2,4-dimethoxy-6H-isochromeno[4,3-c]chromen-11-one

2,4-dimethoxy-6H-isochromeno[4,3-c]chromen-11-one (PubChem CID 15552556) has the molecular formula C18H14O5 and a molecular weight of 310.31 g/mol. Its IUPAC name is 2,4-dimethoxy-6H-isochromeno[4,3-c]chromen-11-one.

Molecular Properties

Compound Name2,4-dimethoxy-6H-isochromeno[4,3-c]chromen-11-one
PubChem CID15552556
Molecular FormulaC18H14O5
Molecular Weight310.31 g/mol
Exact Mass310.08
IUPAC Name2,4-dimethoxy-6H-isochromeno[4,3-c]chromen-11-one
SMILESCOc1cc(OC)c2c3c(c(=O)oc2c1)-c1ccccc1CO3
InChIInChI=1S/C18H14O5/c1-20-11-7-13(21-2)16-14(8-11)23-18(19)15-12-6-4-3-5-10(12)9-22-17(15)16/h3-8H,9H2,1-2H3
InChIKeyPJVZCOYTCMGTQC-UHFFFAOYSA-N
XLogP3.37
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,3,4-trimethoxy-6H-isochromeno[4,3-c]chromen-11-one
CID 86060008
4,5,7-trimethoxy-3-(4-methoxyphenyl)chromen-2-one
CID 631155
5,7-dimethoxy-3H-2-benzofuran-1-one
CID 7314397
4-hydroxy-7,9-dimethoxy-3-phenylpyrano[3,2-b][1]benzofuran-2-one
CID 54749855
4-methoxy-6H-benzo[c]chromene-1-carboxylic acid
CID 86169696
5,7-dimethoxy-2-(2-oxochromen-3-yl)-3-phenylchromen-4-one
CID 102256311
5,7-dimethoxy-3-phenylchromen-2-one
CID 10493138
2-methoxy-6H-benzo[c]chromene
CID 10798586
2,3,10-trimethoxy-5H-isochromeno[4,3-b]chromen-7-one
CID 163070448
5,7-dimethoxy-2-(2-methoxyphenyl)sulfanylchromen-4-one
CID 22906454
(3-amino-4,6-dimethoxy-1-benzofuran-2-yl)-phenylmethanone
CID 3715030
3-(8,10-dimethoxy-6,11-dihydrobenzo[c][1]benzoxepin-11-yl)-4-hydroxychromen-2-one
CID 54732039

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-6H-isochromeno[4,3-c]chromen-11-one?
The IUPAC name of 2,4-dimethoxy-6H-isochromeno[4,3-c]chromen-11-one (CID 15552556) is 2,4-dimethoxy-6H-isochromeno[4,3-c]chromen-11-one.
What is the SMILES notation for 2,4-dimethoxy-6H-isochromeno[4,3-c]chromen-11-one?
The canonical SMILES for 2,4-dimethoxy-6H-isochromeno[4,3-c]chromen-11-one is COc1cc(OC)c2c3c(c(=O)oc2c1)-c1ccccc1CO3.
What is the InChIKey of 2,4-dimethoxy-6H-isochromeno[4,3-c]chromen-11-one?
The InChIKey is PJVZCOYTCMGTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O5/c1-20-11-7-13(21-2)16-14(8-11)23-18(19)15-12-6-4-3-5-10(12)9-22-17(15)16/h3-8H,9H2,1-2H3.
What are the key properties of 2,4-dimethoxy-6H-isochromeno[4,3-c]chromen-11-one?
2,4-dimethoxy-6H-isochromeno[4,3-c]chromen-11-one has a molecular weight of 310.31 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-6H-isochromeno[4,3-c]chromen-11-one is sourced from PubChem (CID 15552556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).