9-methoxy-6-(3-methoxyphenyl)-6H-benzo[c]chromene

C21H18O3 — CID 162646607

IUPAC9-methoxy-6-(3-methoxyphenyl)-6H-benzo[c]chromene
SMILESCOc1cccc(C2Oc3ccccc3-c3cc(OC)ccc32)c1
InChIInChI=1S/C21H18O3/c1-22-15-7-5-6-14(12-15)21-18-11-10-16(23-2)13-19(18)17-8-3-4-9-20(17)24-21/h3-13,21H,1-2H3
InChIKeyDQTKVKXVBLTDCA-UHFFFAOYSA-N
MW318.37 g/mol
LogP4.85
Rot. Bonds3

About 9-methoxy-6-(3-methoxyphenyl)-6H-benzo[c]chromene

9-methoxy-6-(3-methoxyphenyl)-6H-benzo[c]chromene (PubChem CID 162646607) has the molecular formula C21H18O3 and a molecular weight of 318.37 g/mol. Its IUPAC name is 9-methoxy-6-(3-methoxyphenyl)-6H-benzo[c]chromene.

Molecular Properties

Compound Name9-methoxy-6-(3-methoxyphenyl)-6H-benzo[c]chromene
PubChem CID162646607
Molecular FormulaC21H18O3
Molecular Weight318.37 g/mol
Exact Mass318.13
IUPAC Name9-methoxy-6-(3-methoxyphenyl)-6H-benzo[c]chromene
SMILESCOc1cccc(C2Oc3ccccc3-c3cc(OC)ccc32)c1
InChIInChI=1S/C21H18O3/c1-22-15-7-5-6-14(12-15)21-18-11-10-16(23-2)13-19(18)17-8-3-4-9-20(17)24-21/h3-13,21H,1-2H3
InChIKeyDQTKVKXVBLTDCA-UHFFFAOYSA-N
XLogP4.85
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-methoxy-6-(3-methoxyphenyl)-6H-benzo[c]chromene?
The IUPAC name of 9-methoxy-6-(3-methoxyphenyl)-6H-benzo[c]chromene (CID 162646607) is 9-methoxy-6-(3-methoxyphenyl)-6H-benzo[c]chromene.
What is the SMILES notation for 9-methoxy-6-(3-methoxyphenyl)-6H-benzo[c]chromene?
The canonical SMILES for 9-methoxy-6-(3-methoxyphenyl)-6H-benzo[c]chromene is COc1cccc(C2Oc3ccccc3-c3cc(OC)ccc32)c1.
What is the InChIKey of 9-methoxy-6-(3-methoxyphenyl)-6H-benzo[c]chromene?
The InChIKey is DQTKVKXVBLTDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O3/c1-22-15-7-5-6-14(12-15)21-18-11-10-16(23-2)13-19(18)17-8-3-4-9-20(17)24-21/h3-13,21H,1-2H3.
What are the key properties of 9-methoxy-6-(3-methoxyphenyl)-6H-benzo[c]chromene?
9-methoxy-6-(3-methoxyphenyl)-6H-benzo[c]chromene has a molecular weight of 318.37 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-6-(3-methoxyphenyl)-6H-benzo[c]chromene is sourced from PubChem (CID 162646607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).