3-(2,4-difluorophenyl)-3,4-dihydro-2H-chromen-7-ol

C15H12F2O2 — CID 177248657

IUPAC3-(2,4-difluorophenyl)-3,4-dihydro-2H-chromen-7-ol
SMILESOc1ccc2c(c1)OCC(c1ccc(F)cc1F)C2
InChIInChI=1S/C15H12F2O2/c16-11-2-4-13(14(17)6-11)10-5-9-1-3-12(18)7-15(9)19-8-10/h1-4,6-7,10,18H,5,8H2
InChIKeyDFGSJDVVYMUVQU-UHFFFAOYSA-N
MW262.25 g/mol
LogP3.39
Rot. Bonds1

About 3-(2,4-difluorophenyl)-3,4-dihydro-2H-chromen-7-ol

3-(2,4-difluorophenyl)-3,4-dihydro-2H-chromen-7-ol (PubChem CID 177248657) has the molecular formula C15H12F2O2 and a molecular weight of 262.25 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-3,4-dihydro-2H-chromen-7-ol.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-3,4-dihydro-2H-chromen-7-ol
PubChem CID177248657
Molecular FormulaC15H12F2O2
Molecular Weight262.25 g/mol
Exact Mass262.08
IUPAC Name3-(2,4-difluorophenyl)-3,4-dihydro-2H-chromen-7-ol
SMILESOc1ccc2c(c1)OCC(c1ccc(F)cc1F)C2
InChIInChI=1S/C15H12F2O2/c16-11-2-4-13(14(17)6-11)10-5-9-1-3-12(18)7-15(9)19-8-10/h1-4,6-7,10,18H,5,8H2
InChIKeyDFGSJDVVYMUVQU-UHFFFAOYSA-N
XLogP3.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.25
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-3,4-dihydro-2H-chromen-7-ol?
The IUPAC name of 3-(2,4-difluorophenyl)-3,4-dihydro-2H-chromen-7-ol (CID 177248657) is 3-(2,4-difluorophenyl)-3,4-dihydro-2H-chromen-7-ol.
What is the SMILES notation for 3-(2,4-difluorophenyl)-3,4-dihydro-2H-chromen-7-ol?
The canonical SMILES for 3-(2,4-difluorophenyl)-3,4-dihydro-2H-chromen-7-ol is Oc1ccc2c(c1)OCC(c1ccc(F)cc1F)C2.
What is the InChIKey of 3-(2,4-difluorophenyl)-3,4-dihydro-2H-chromen-7-ol?
The InChIKey is DFGSJDVVYMUVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O2/c16-11-2-4-13(14(17)6-11)10-5-9-1-3-12(18)7-15(9)19-8-10/h1-4,6-7,10,18H,5,8H2.
What are the key properties of 3-(2,4-difluorophenyl)-3,4-dihydro-2H-chromen-7-ol?
3-(2,4-difluorophenyl)-3,4-dihydro-2H-chromen-7-ol has a molecular weight of 262.25 g/mol, XLogP of 3.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-3,4-dihydro-2H-chromen-7-ol is sourced from PubChem (CID 177248657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).