2,3,10-trimethoxy-5H-isochromeno[4,3-b]chromen-7-one

C19H16O6 — CID 163070448

IUPAC2,3,10-trimethoxy-5H-isochromeno[4,3-b]chromen-7-one
SMILESCOc1ccc2c(=O)c3c(oc2c1)-c1cc(OC)c(OC)cc1CO3
InChIInChI=1S/C19H16O6/c1-21-11-4-5-12-14(7-11)25-18-13-8-16(23-3)15(22-2)6-10(13)9-24-19(18)17(12)20/h4-8H,9H2,1-3H3
InChIKeyNGRSXQOQVOCEGD-UHFFFAOYSA-N
MW340.33 g/mol
LogP3.38
Rot. Bonds3

About 2,3,10-trimethoxy-5H-isochromeno[4,3-b]chromen-7-one

2,3,10-trimethoxy-5H-isochromeno[4,3-b]chromen-7-one (PubChem CID 163070448) has the molecular formula C19H16O6 and a molecular weight of 340.33 g/mol. Its IUPAC name is 2,3,10-trimethoxy-5H-isochromeno[4,3-b]chromen-7-one.

Molecular Properties

Compound Name2,3,10-trimethoxy-5H-isochromeno[4,3-b]chromen-7-one
PubChem CID163070448
Molecular FormulaC19H16O6
Molecular Weight340.33 g/mol
Exact Mass340.09
IUPAC Name2,3,10-trimethoxy-5H-isochromeno[4,3-b]chromen-7-one
SMILESCOc1ccc2c(=O)c3c(oc2c1)-c1cc(OC)c(OC)cc1CO3
InChIInChI=1S/C19H16O6/c1-21-11-4-5-12-14(7-11)25-18-13-8-16(23-3)15(22-2)6-10(13)9-24-19(18)17(12)20/h4-8H,9H2,1-3H3
InChIKeyNGRSXQOQVOCEGD-UHFFFAOYSA-N
XLogP3.38
TPSA67.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,3,10-trimethoxy-5H-isochromeno[4,3-b]chromen-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(7-oxo-5H-isochromeno[4,3-b]chromen-10-yl) acetate
CID 71371839
3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-7-methoxychromen-4-one
CID 10807373
3,9-dimethoxy-6H-[1]benzofuro[3,2-c]chromene
CID 624785
3-amino-7-methoxy-2-phenylchromen-4-one
CID 101481005
3-[2-[4,5-dimethoxy-2-(7-methoxy-4-oxochromen-3-yl)phenyl]-4-hydroxy-5-methoxyphenyl]-7-methoxychromen-4-one
CID 102347784
2-amino-3-(3,4-dimethoxyphenyl)-7-methoxychromen-4-one
CID 70689704
4-(3,4-dimethoxyphenyl)-7-methoxychromen-2-one
CID 46879082
7-methoxy-2-(4-methoxyphenyl)-4-oxochromene-3-carbonitrile
CID 71378369
3-bromo-2-(3,4-dimethoxyphenyl)-6-methoxy-1-benzofuran
CID 89479658
17,18-dimethoxy-7,7-dimethyl-2,8,22-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4(9),5,10,15,17,19-octaen-13-one
CID 89257140
4-amino-8-methoxy-2,3-dihydro-1H-cyclopenta[a]xanthen-11-one
CID 102314275
9-bromo-3,7-dimethoxy-[1]benzofuro[3,2-b]chromen-11-one
CID 11440255

Frequently Asked Questions

What is the IUPAC name of 2,3,10-trimethoxy-5H-isochromeno[4,3-b]chromen-7-one?
The IUPAC name of 2,3,10-trimethoxy-5H-isochromeno[4,3-b]chromen-7-one (CID 163070448) is 2,3,10-trimethoxy-5H-isochromeno[4,3-b]chromen-7-one.
What is the SMILES notation for 2,3,10-trimethoxy-5H-isochromeno[4,3-b]chromen-7-one?
The canonical SMILES for 2,3,10-trimethoxy-5H-isochromeno[4,3-b]chromen-7-one is COc1ccc2c(=O)c3c(oc2c1)-c1cc(OC)c(OC)cc1CO3.
What is the InChIKey of 2,3,10-trimethoxy-5H-isochromeno[4,3-b]chromen-7-one?
The InChIKey is NGRSXQOQVOCEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O6/c1-21-11-4-5-12-14(7-11)25-18-13-8-16(23-3)15(22-2)6-10(13)9-24-19(18)17(12)20/h4-8H,9H2,1-3H3.
What are the key properties of 2,3,10-trimethoxy-5H-isochromeno[4,3-b]chromen-7-one?
2,3,10-trimethoxy-5H-isochromeno[4,3-b]chromen-7-one has a molecular weight of 340.33 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,10-trimethoxy-5H-isochromeno[4,3-b]chromen-7-one is sourced from PubChem (CID 163070448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).