8,9-dimethoxy-6-(3-methoxyphenyl)-6H-benzo[c]chromene

C22H20O4 — CID 162643932

IUPAC8,9-dimethoxy-6-(3-methoxyphenyl)-6H-benzo[c]chromene
SMILESCOc1cccc(C2Oc3ccccc3-c3cc(OC)c(OC)cc32)c1
InChIInChI=1S/C22H20O4/c1-23-15-8-6-7-14(11-15)22-18-13-21(25-3)20(24-2)12-17(18)16-9-4-5-10-19(16)26-22/h4-13,22H,1-3H3
InChIKeyVZFGLZCBPKITKX-UHFFFAOYSA-N
MW348.40 g/mol
LogP4.86
Rot. Bonds4

About 8,9-dimethoxy-6-(3-methoxyphenyl)-6H-benzo[c]chromene

8,9-dimethoxy-6-(3-methoxyphenyl)-6H-benzo[c]chromene (PubChem CID 162643932) has the molecular formula C22H20O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is 8,9-dimethoxy-6-(3-methoxyphenyl)-6H-benzo[c]chromene.

Molecular Properties

Compound Name8,9-dimethoxy-6-(3-methoxyphenyl)-6H-benzo[c]chromene
PubChem CID162643932
Molecular FormulaC22H20O4
Molecular Weight348.40 g/mol
Exact Mass348.14
IUPAC Name8,9-dimethoxy-6-(3-methoxyphenyl)-6H-benzo[c]chromene
SMILESCOc1cccc(C2Oc3ccccc3-c3cc(OC)c(OC)cc32)c1
InChIInChI=1S/C22H20O4/c1-23-15-8-6-7-14(11-15)22-18-13-21(25-3)20(24-2)12-17(18)16-9-4-5-10-19(16)26-22/h4-13,22H,1-3H3
InChIKeyVZFGLZCBPKITKX-UHFFFAOYSA-N
XLogP4.86
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8,9-dimethoxy-6-(3-methoxyphenyl)-6H-benzo[c]chromene?
The IUPAC name of 8,9-dimethoxy-6-(3-methoxyphenyl)-6H-benzo[c]chromene (CID 162643932) is 8,9-dimethoxy-6-(3-methoxyphenyl)-6H-benzo[c]chromene.
What is the SMILES notation for 8,9-dimethoxy-6-(3-methoxyphenyl)-6H-benzo[c]chromene?
The canonical SMILES for 8,9-dimethoxy-6-(3-methoxyphenyl)-6H-benzo[c]chromene is COc1cccc(C2Oc3ccccc3-c3cc(OC)c(OC)cc32)c1.
What is the InChIKey of 8,9-dimethoxy-6-(3-methoxyphenyl)-6H-benzo[c]chromene?
The InChIKey is VZFGLZCBPKITKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O4/c1-23-15-8-6-7-14(11-15)22-18-13-21(25-3)20(24-2)12-17(18)16-9-4-5-10-19(16)26-22/h4-13,22H,1-3H3.
What are the key properties of 8,9-dimethoxy-6-(3-methoxyphenyl)-6H-benzo[c]chromene?
8,9-dimethoxy-6-(3-methoxyphenyl)-6H-benzo[c]chromene has a molecular weight of 348.40 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dimethoxy-6-(3-methoxyphenyl)-6H-benzo[c]chromene is sourced from PubChem (CID 162643932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).