4-hydroxy-7-methyl-9-[[4-(trifluoromethoxy)phenyl]methoxy]furo[3,2-g]chromen-5-one

C20H13F3O6 — CID 11509693

IUPAC4-hydroxy-7-methyl-9-[[4-(trifluoromethoxy)phenyl]methoxy]furo[3,2-g]chromen-5-one
SMILESCc1cc(=O)c2c(O)c3ccoc3c(OCc3ccc(OC(F)(F)F)cc3)c2o1
InChIInChI=1S/C20H13F3O6/c1-10-8-14(24)15-16(25)13-6-7-26-17(13)19(18(15)28-10)27-9-11-2-4-12(5-3-11)29-20(21,22)23/h2-8,25H,9H2,1H3
InChIKeyCVGGTJMJZYXKBN-UHFFFAOYSA-N
MW406.31 g/mol
LogP5.03
Rot. Bonds4

About 4-hydroxy-7-methyl-9-[[4-(trifluoromethoxy)phenyl]methoxy]furo[3,2-g]chromen-5-one

4-hydroxy-7-methyl-9-[[4-(trifluoromethoxy)phenyl]methoxy]furo[3,2-g]chromen-5-one (PubChem CID 11509693) has the molecular formula C20H13F3O6 and a molecular weight of 406.31 g/mol. Its IUPAC name is 4-hydroxy-7-methyl-9-[[4-(trifluoromethoxy)phenyl]methoxy]furo[3,2-g]chromen-5-one.

Molecular Properties

Compound Name4-hydroxy-7-methyl-9-[[4-(trifluoromethoxy)phenyl]methoxy]furo[3,2-g]chromen-5-one
PubChem CID11509693
Molecular FormulaC20H13F3O6
Molecular Weight406.31 g/mol
Exact Mass406.07
IUPAC Name4-hydroxy-7-methyl-9-[[4-(trifluoromethoxy)phenyl]methoxy]furo[3,2-g]chromen-5-one
SMILESCc1cc(=O)c2c(O)c3ccoc3c(OCc3ccc(OC(F)(F)F)cc3)c2o1
InChIInChI=1S/C20H13F3O6/c1-10-8-14(24)15-16(25)13-6-7-26-17(13)19(18(15)28-10)27-9-11-2-4-12(5-3-11)29-20(21,22)23/h2-8,25H,9H2,1H3
InChIKeyCVGGTJMJZYXKBN-UHFFFAOYSA-N
XLogP5.03
TPSA82.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.31
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-hydroxy-7-methyl-9-[[4-(trifluoromethoxy)phenyl]methoxy]furo[3,2-g]chromen-5-one with MolForge

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Related Compounds

9-methoxy-7-methyl-4-[[4-(trifluoromethoxy)phenyl]methoxy]furo[3,2-g]chromen-5-one
CID 11683195
1-ethyl-3-(4-hydroxy-7-methyl-5-oxofuro[3,2-g]chromen-9-yl)thiourea
CID 10403582
1-(4-hydroxy-7-methyl-5-oxofuro[3,2-g]chromen-9-yl)-3-methylthiourea
CID 10040708
1-ethyl-4-[[4-(trifluoromethoxy)phenyl]methoxy]benzene
CID 64765106
1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]ethanone
CID 52561273
1-(4-methyl-2-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 63841534
[4-[[4-(trifluoromethoxy)phenoxy]methyl]phenyl]methanol
CID 115969593
5,7-dihydroxy-6-methoxy-2,8-dimethylchromen-4-one
CID 14482774
4-(chloromethyl)-7-[[4-(trifluoromethoxy)phenyl]methoxy]chromen-2-one
CID 51356823
ethane;4-hydroxy-2-[[4-(trifluoromethoxy)phenyl]methoxy]benzonitrile
CID 142617819
9-[2-(diethylamino)-3-ethoxypropoxy]-4-hydroxy-2-methylfuro[3,2-g]chromen-5-one;hydrochloride
CID 138397134
5-ethoxycarbonyl-3-[[4-(trifluoromethoxy)phenyl]methoxy]pyridine-2-carboxylic acid
CID 22923875

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-7-methyl-9-[[4-(trifluoromethoxy)phenyl]methoxy]furo[3,2-g]chromen-5-one?
The IUPAC name of 4-hydroxy-7-methyl-9-[[4-(trifluoromethoxy)phenyl]methoxy]furo[3,2-g]chromen-5-one (CID 11509693) is 4-hydroxy-7-methyl-9-[[4-(trifluoromethoxy)phenyl]methoxy]furo[3,2-g]chromen-5-one.
What is the SMILES notation for 4-hydroxy-7-methyl-9-[[4-(trifluoromethoxy)phenyl]methoxy]furo[3,2-g]chromen-5-one?
The canonical SMILES for 4-hydroxy-7-methyl-9-[[4-(trifluoromethoxy)phenyl]methoxy]furo[3,2-g]chromen-5-one is Cc1cc(=O)c2c(O)c3ccoc3c(OCc3ccc(OC(F)(F)F)cc3)c2o1.
What is the InChIKey of 4-hydroxy-7-methyl-9-[[4-(trifluoromethoxy)phenyl]methoxy]furo[3,2-g]chromen-5-one?
The InChIKey is CVGGTJMJZYXKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3O6/c1-10-8-14(24)15-16(25)13-6-7-26-17(13)19(18(15)28-10)27-9-11-2-4-12(5-3-11)29-20(21,22)23/h2-8,25H,9H2,1H3.
What are the key properties of 4-hydroxy-7-methyl-9-[[4-(trifluoromethoxy)phenyl]methoxy]furo[3,2-g]chromen-5-one?
4-hydroxy-7-methyl-9-[[4-(trifluoromethoxy)phenyl]methoxy]furo[3,2-g]chromen-5-one has a molecular weight of 406.31 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-7-methyl-9-[[4-(trifluoromethoxy)phenyl]methoxy]furo[3,2-g]chromen-5-one is sourced from PubChem (CID 11509693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).