dimethyl 2-bromo-6,9-dihydroxy-6-(trifluoromethyl)benzo[c]chromene-8,10-dicarboxylate

C18H12BrF3O7 — CID 71492712

IUPACdimethyl 2-bromo-6,9-dihydroxy-6-(trifluoromethyl)benzo[c]chromene-8,10-dicarboxylate
SMILESCOC(=O)c1cc2c(c(C(=O)OC)c1O)-c1cc(Br)ccc1OC2(O)C(F)(F)F
InChIInChI=1S/C18H12BrF3O7/c1-27-15(24)9-6-10-12(13(14(9)23)16(25)28-2)8-5-7(19)3-4-11(8)29-17(10,26)18(20,21)22/h3-6,23,26H,1-2H3
InChIKeyBWONGLINPNLARF-UHFFFAOYSA-N
MW477.19 g/mol
LogP3.49
Rot. Bonds2

About dimethyl 2-bromo-6,9-dihydroxy-6-(trifluoromethyl)benzo[c]chromene-8,10-dicarboxylate

dimethyl 2-bromo-6,9-dihydroxy-6-(trifluoromethyl)benzo[c]chromene-8,10-dicarboxylate (PubChem CID 71492712) has the molecular formula C18H12BrF3O7 and a molecular weight of 477.19 g/mol. Its IUPAC name is dimethyl 2-bromo-6,9-dihydroxy-6-(trifluoromethyl)benzo[c]chromene-8,10-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-bromo-6,9-dihydroxy-6-(trifluoromethyl)benzo[c]chromene-8,10-dicarboxylate
PubChem CID71492712
Molecular FormulaC18H12BrF3O7
Molecular Weight477.19 g/mol
Exact Mass475.97
IUPAC Namedimethyl 2-bromo-6,9-dihydroxy-6-(trifluoromethyl)benzo[c]chromene-8,10-dicarboxylate
SMILESCOC(=O)c1cc2c(c(C(=O)OC)c1O)-c1cc(Br)ccc1OC2(O)C(F)(F)F
InChIInChI=1S/C18H12BrF3O7/c1-27-15(24)9-6-10-12(13(14(9)23)16(25)28-2)8-5-7(19)3-4-11(8)29-17(10,26)18(20,21)22/h3-6,23,26H,1-2H3
InChIKeyBWONGLINPNLARF-UHFFFAOYSA-N
XLogP3.49
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.19
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

dimethyl 6-(1,1,2,2,3,3,3-heptafluoropropyl)-6,9-dihydroxy-3-methoxybenzo[c]chromene-8,10-dicarboxylate
CID 71492896
methyl 5-bromo-7-oxo-1,7a-dihydrocyclopropa[b]chromene-1a-carboxylate
CID 102547389
methyl (1aS,7aS)-5-bromo-7-oxo-1,7a-dihydrocyclopropa[b]chromene-1a-carboxylate
CID 98468946
methyl 5-bromo-2-hydroxy-3-iodobenzoate
CID 3613951
methyl 3-bromo-5-chloro-2-hydroxybenzoate
CID 53419622
dimethyl 5-tert-butyl-2-hydroxybenzene-1,3-dicarboxylate
CID 170871811
methyl 2-amino-5-bromobenzoate;hydrobromide
CID 162716594
methyl 7-bromo-2-oxo-1,3-dihydro-1,4-benzodiazepine-5-carboxylate
CID 11150643
dimethyl 4-(4-bromophenyl)-4-(trifluoromethyl)oxete-2,3-dicarboxylate
CID 102107633
methyl 4-bromo-2-(5-chlorothiophen-3-yl)benzoate
CID 141405950
dimethyl 3,6-dibromofluorene-9,9-dicarboxylate
CID 139293216
methyl 3,4-dibromo-5-fluoro-2-hydroxybenzoate
CID 169225514

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-bromo-6,9-dihydroxy-6-(trifluoromethyl)benzo[c]chromene-8,10-dicarboxylate?
The IUPAC name of dimethyl 2-bromo-6,9-dihydroxy-6-(trifluoromethyl)benzo[c]chromene-8,10-dicarboxylate (CID 71492712) is dimethyl 2-bromo-6,9-dihydroxy-6-(trifluoromethyl)benzo[c]chromene-8,10-dicarboxylate.
What is the SMILES notation for dimethyl 2-bromo-6,9-dihydroxy-6-(trifluoromethyl)benzo[c]chromene-8,10-dicarboxylate?
The canonical SMILES for dimethyl 2-bromo-6,9-dihydroxy-6-(trifluoromethyl)benzo[c]chromene-8,10-dicarboxylate is COC(=O)c1cc2c(c(C(=O)OC)c1O)-c1cc(Br)ccc1OC2(O)C(F)(F)F.
What is the InChIKey of dimethyl 2-bromo-6,9-dihydroxy-6-(trifluoromethyl)benzo[c]chromene-8,10-dicarboxylate?
The InChIKey is BWONGLINPNLARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrF3O7/c1-27-15(24)9-6-10-12(13(14(9)23)16(25)28-2)8-5-7(19)3-4-11(8)29-17(10,26)18(20,21)22/h3-6,23,26H,1-2H3.
What are the key properties of dimethyl 2-bromo-6,9-dihydroxy-6-(trifluoromethyl)benzo[c]chromene-8,10-dicarboxylate?
dimethyl 2-bromo-6,9-dihydroxy-6-(trifluoromethyl)benzo[c]chromene-8,10-dicarboxylate has a molecular weight of 477.19 g/mol, XLogP of 3.49, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-bromo-6,9-dihydroxy-6-(trifluoromethyl)benzo[c]chromene-8,10-dicarboxylate is sourced from PubChem (CID 71492712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).