2-methyl-3-[4-(trifluoromethyl)phenyl]furo[2,3-b]chromen-4-one

C19H11F3O3 — CID 163637979

IUPAC2-methyl-3-[4-(trifluoromethyl)phenyl]furo[2,3-b]chromen-4-one
SMILESCc1oc2oc3ccccc3c(=O)c2c1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H11F3O3/c1-10-15(11-6-8-12(9-7-11)19(20,21)22)16-17(23)13-4-2-3-5-14(13)25-18(16)24-10/h2-9H,1H3
InChIKeyIBVOKJSTYARSFF-UHFFFAOYSA-N
MW344.29 g/mol
LogP5.53
Rot. Bonds1

About 2-methyl-3-[4-(trifluoromethyl)phenyl]furo[2,3-b]chromen-4-one

2-methyl-3-[4-(trifluoromethyl)phenyl]furo[2,3-b]chromen-4-one (PubChem CID 163637979) has the molecular formula C19H11F3O3 and a molecular weight of 344.29 g/mol. Its IUPAC name is 2-methyl-3-[4-(trifluoromethyl)phenyl]furo[2,3-b]chromen-4-one.

Molecular Properties

Compound Name2-methyl-3-[4-(trifluoromethyl)phenyl]furo[2,3-b]chromen-4-one
PubChem CID163637979
Molecular FormulaC19H11F3O3
Molecular Weight344.29 g/mol
Exact Mass344.07
IUPAC Name2-methyl-3-[4-(trifluoromethyl)phenyl]furo[2,3-b]chromen-4-one
SMILESCc1oc2oc3ccccc3c(=O)c2c1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H11F3O3/c1-10-15(11-6-8-12(9-7-11)19(20,21)22)16-17(23)13-4-2-3-5-14(13)25-18(16)24-10/h2-9H,1H3
InChIKeyIBVOKJSTYARSFF-UHFFFAOYSA-N
XLogP5.53
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.29
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-(trifluoromethyl)chromen-4-one
CID 175746490
1,3-bis[4-(trifluoromethyl)phenyl]-2-benzofuran
CID 11961545
7-phenyl-12-[4-(trifluoromethyl)phenyl]naphtho[2,3-c]isochromen-5-one
CID 164686695
6-methyl-10-(trifluoromethyl)benzo[c]xanthen-7-one
CID 146176957
15,20-bis[4-(trifluoromethyl)phenyl]heptacyclo[14.10.2.02,7.08,28.09,14.019,27.021,26]octacosa-1(27),2,4,6,8(28),9,11,13,15,17,19,21,23,25-tetradecaene
CID 122205192
2-[4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-d][1,3]oxazin-4-one
CID 3983355
2-methyl-7-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]pyrene
CID 167155102
9,20-bis[4-(trifluoromethyl)phenyl]octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaene
CID 46177256
4-(2-methyl-1-benzofuran-3-yl)aniline
CID 116987369
2-ethyl-3-(4-fluorophenyl)chromen-4-one
CID 53234762
2-tert-butyl-3-phenylchromen-4-one
CID 159840015
9-(4-methoxyphenyl)-10-[4-(trifluoromethyl)phenyl]anthracene
CID 122370617

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[4-(trifluoromethyl)phenyl]furo[2,3-b]chromen-4-one?
The IUPAC name of 2-methyl-3-[4-(trifluoromethyl)phenyl]furo[2,3-b]chromen-4-one (CID 163637979) is 2-methyl-3-[4-(trifluoromethyl)phenyl]furo[2,3-b]chromen-4-one.
What is the SMILES notation for 2-methyl-3-[4-(trifluoromethyl)phenyl]furo[2,3-b]chromen-4-one?
The canonical SMILES for 2-methyl-3-[4-(trifluoromethyl)phenyl]furo[2,3-b]chromen-4-one is Cc1oc2oc3ccccc3c(=O)c2c1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-methyl-3-[4-(trifluoromethyl)phenyl]furo[2,3-b]chromen-4-one?
The InChIKey is IBVOKJSTYARSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F3O3/c1-10-15(11-6-8-12(9-7-11)19(20,21)22)16-17(23)13-4-2-3-5-14(13)25-18(16)24-10/h2-9H,1H3.
What are the key properties of 2-methyl-3-[4-(trifluoromethyl)phenyl]furo[2,3-b]chromen-4-one?
2-methyl-3-[4-(trifluoromethyl)phenyl]furo[2,3-b]chromen-4-one has a molecular weight of 344.29 g/mol, XLogP of 5.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[4-(trifluoromethyl)phenyl]furo[2,3-b]chromen-4-one is sourced from PubChem (CID 163637979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).