6-(4-bromophenyl)-9-methoxy-6H-benzo[c]chromene

C20H15BrO2 — CID 162654197

IUPAC6-(4-bromophenyl)-9-methoxy-6H-benzo[c]chromene
SMILESCOc1ccc2c(c1)-c1ccccc1OC2c1ccc(Br)cc1
InChIInChI=1S/C20H15BrO2/c1-22-15-10-11-17-18(12-15)16-4-2-3-5-19(16)23-20(17)13-6-8-14(21)9-7-13/h2-12,20H,1H3
InChIKeyXYUFGCRBPFRIDQ-UHFFFAOYSA-N
MW367.24 g/mol
LogP5.61
Rot. Bonds2

About 6-(4-bromophenyl)-9-methoxy-6H-benzo[c]chromene

6-(4-bromophenyl)-9-methoxy-6H-benzo[c]chromene (PubChem CID 162654197) has the molecular formula C20H15BrO2 and a molecular weight of 367.24 g/mol. Its IUPAC name is 6-(4-bromophenyl)-9-methoxy-6H-benzo[c]chromene.

Molecular Properties

Compound Name6-(4-bromophenyl)-9-methoxy-6H-benzo[c]chromene
PubChem CID162654197
Molecular FormulaC20H15BrO2
Molecular Weight367.24 g/mol
Exact Mass366.03
IUPAC Name6-(4-bromophenyl)-9-methoxy-6H-benzo[c]chromene
SMILESCOc1ccc2c(c1)-c1ccccc1OC2c1ccc(Br)cc1
InChIInChI=1S/C20H15BrO2/c1-22-15-10-11-17-18(12-15)16-4-2-3-5-19(16)23-20(17)13-6-8-14(21)9-7-13/h2-12,20H,1H3
InChIKeyXYUFGCRBPFRIDQ-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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Related Compounds

Benzene, 1-((2-(4-bromophenyl)-2-methylpropoxy)methyl)-3-phenoxy-
CID 3067209
2-Bromo-6-ethoxynaphthalene
CID 236858
8,9-dimethoxy-6-(3-methoxyphenyl)-6H-benzo[c]chromene
CID 162643932
9-methoxy-6-(3-methoxyphenyl)-6H-benzo[c]chromene
CID 162646607
9-methoxy-6-(2-methoxyphenyl)-6H-benzo[c]chromene
CID 162659797
9-methoxy-6-(2-methylphenyl)-6H-benzo[c]chromene
CID 162668539
(2R,3R)-3-(4-bromophenyl)-5-methoxy-2-phenyl-2,3-dihydro-1-benzofuran
CID 164609320
(2S,3R)-3-(4-bromophenyl)-5-methoxy-2-phenyl-2,3-dihydro-1-benzofuran
CID 164618468
4-Bromo-4'-(pentyloxy)-1,1'-biphenyl
CID 2801388
1-Bromo-4-(4-octoxyphenyl)benzene
CID 2801787
2-(6-Bromo-2-naphthoxy)tetrahydropyran
CID 3658100
2-Bromo-6-butoxynaphthalene
CID 3798414

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)-9-methoxy-6H-benzo[c]chromene?
The IUPAC name of 6-(4-bromophenyl)-9-methoxy-6H-benzo[c]chromene (CID 162654197) is 6-(4-bromophenyl)-9-methoxy-6H-benzo[c]chromene.
What is the SMILES notation for 6-(4-bromophenyl)-9-methoxy-6H-benzo[c]chromene?
The canonical SMILES for 6-(4-bromophenyl)-9-methoxy-6H-benzo[c]chromene is COc1ccc2c(c1)-c1ccccc1OC2c1ccc(Br)cc1.
What is the InChIKey of 6-(4-bromophenyl)-9-methoxy-6H-benzo[c]chromene?
The InChIKey is XYUFGCRBPFRIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrO2/c1-22-15-10-11-17-18(12-15)16-4-2-3-5-19(16)23-20(17)13-6-8-14(21)9-7-13/h2-12,20H,1H3.
What are the key properties of 6-(4-bromophenyl)-9-methoxy-6H-benzo[c]chromene?
6-(4-bromophenyl)-9-methoxy-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 6-(4-bromophenyl)-9-methoxy-6H-benzo[c]chromene is sourced from PubChem (CID 162654197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).