2-bromo-6-(4-methoxyphenyl)-6H-benzo[c]chromene

C20H15BrO2 — CID 162645614

IUPAC2-bromo-6-(4-methoxyphenyl)-6H-benzo[c]chromene
SMILESCOc1ccc(C2Oc3ccc(Br)cc3-c3ccccc32)cc1
InChIInChI=1S/C20H15BrO2/c1-22-15-9-6-13(7-10-15)20-17-5-3-2-4-16(17)18-12-14(21)8-11-19(18)23-20/h2-12,20H,1H3
InChIKeyKEQFRHIWZYTDKZ-UHFFFAOYSA-N
MW367.24 g/mol
LogP5.61
Rot. Bonds2

About 2-bromo-6-(4-methoxyphenyl)-6H-benzo[c]chromene

2-bromo-6-(4-methoxyphenyl)-6H-benzo[c]chromene (PubChem CID 162645614) has the molecular formula C20H15BrO2 and a molecular weight of 367.24 g/mol. Its IUPAC name is 2-bromo-6-(4-methoxyphenyl)-6H-benzo[c]chromene.

Molecular Properties

Compound Name2-bromo-6-(4-methoxyphenyl)-6H-benzo[c]chromene
PubChem CID162645614
Molecular FormulaC20H15BrO2
Molecular Weight367.24 g/mol
Exact Mass366.03
IUPAC Name2-bromo-6-(4-methoxyphenyl)-6H-benzo[c]chromene
SMILESCOc1ccc(C2Oc3ccc(Br)cc3-c3ccccc32)cc1
InChIInChI=1S/C20H15BrO2/c1-22-15-9-6-13(7-10-15)20-17-5-3-2-4-16(17)18-12-14(21)8-11-19(18)23-20/h2-12,20H,1H3
InChIKeyKEQFRHIWZYTDKZ-UHFFFAOYSA-N
XLogP5.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.24
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(4-methoxyphenyl)-6H-benzo[c]chromene?
The IUPAC name of 2-bromo-6-(4-methoxyphenyl)-6H-benzo[c]chromene (CID 162645614) is 2-bromo-6-(4-methoxyphenyl)-6H-benzo[c]chromene.
What is the SMILES notation for 2-bromo-6-(4-methoxyphenyl)-6H-benzo[c]chromene?
The canonical SMILES for 2-bromo-6-(4-methoxyphenyl)-6H-benzo[c]chromene is COc1ccc(C2Oc3ccc(Br)cc3-c3ccccc32)cc1.
What is the InChIKey of 2-bromo-6-(4-methoxyphenyl)-6H-benzo[c]chromene?
The InChIKey is KEQFRHIWZYTDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrO2/c1-22-15-9-6-13(7-10-15)20-17-5-3-2-4-16(17)18-12-14(21)8-11-19(18)23-20/h2-12,20H,1H3.
What are the key properties of 2-bromo-6-(4-methoxyphenyl)-6H-benzo[c]chromene?
2-bromo-6-(4-methoxyphenyl)-6H-benzo[c]chromene has a molecular weight of 367.24 g/mol, XLogP of 5.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(4-methoxyphenyl)-6H-benzo[c]chromene is sourced from PubChem (CID 162645614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).