6,7-difluoro-3-phenyl-3,4-dihydroisochromen-1-one

C15H10F2O2 — CID 114517364

IUPAC6,7-difluoro-3-phenyl-3,4-dihydroisochromen-1-one
SMILESO=C1OC(c2ccccc2)Cc2cc(F)c(F)cc21
InChIInChI=1S/C15H10F2O2/c16-12-6-10-7-14(9-4-2-1-3-5-9)19-15(18)11(10)8-13(12)17/h1-6,8,14H,7H2
InChIKeyYRNGTYRUOQELIS-UHFFFAOYSA-N
MW260.24 g/mol
LogP3.42
Rot. Bonds1

About 6,7-difluoro-3-phenyl-3,4-dihydroisochromen-1-one

6,7-difluoro-3-phenyl-3,4-dihydroisochromen-1-one (PubChem CID 114517364) has the molecular formula C15H10F2O2 and a molecular weight of 260.24 g/mol. Its IUPAC name is 6,7-difluoro-3-phenyl-3,4-dihydroisochromen-1-one.

Molecular Properties

Compound Name6,7-difluoro-3-phenyl-3,4-dihydroisochromen-1-one
PubChem CID114517364
Molecular FormulaC15H10F2O2
Molecular Weight260.24 g/mol
Exact Mass260.06
IUPAC Name6,7-difluoro-3-phenyl-3,4-dihydroisochromen-1-one
SMILESO=C1OC(c2ccccc2)Cc2cc(F)c(F)cc21
InChIInChI=1S/C15H10F2O2/c16-12-6-10-7-14(9-4-2-1-3-5-9)19-15(18)11(10)8-13(12)17/h1-6,8,14H,7H2
InChIKeyYRNGTYRUOQELIS-UHFFFAOYSA-N
XLogP3.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-fluorophenyl)-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide
CID 4913378
5-phenyloxolane-2,3-dione
CID 14450727
(3S)-N-(4-chlorophenyl)-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide
CID 7274281
(3S)-N,N-diethyl-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide
CID 34837968
(3S)-3-phenyl-6-(piperidine-1-carbonyl)-3,4-dihydroisochromen-1-one
CID 41360286
(3S)-6,8-dihydroxy-3-phenyl-3,4-dihydroisochromen-1-one
CID 10400162
N-(2-fluorophenyl)-3-(4-fluorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide
CID 43845116
(3R)-N-benzyl-3-(4-fluorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide
CID 51860442
(3R)-N-(2-fluorophenyl)-3-(4-fluorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide
CID 51860434
(3R)-N-(4-hydroxyphenyl)-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide
CID 97315472
6-methoxy-3-(4-methoxyphenyl)-3,4-dihydroisochromen-1-one
CID 86216518
(3R)-N-[(3-fluorophenyl)methyl]-N-methyl-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide
CID 41374048

Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-3-phenyl-3,4-dihydroisochromen-1-one?
The IUPAC name of 6,7-difluoro-3-phenyl-3,4-dihydroisochromen-1-one (CID 114517364) is 6,7-difluoro-3-phenyl-3,4-dihydroisochromen-1-one.
What is the SMILES notation for 6,7-difluoro-3-phenyl-3,4-dihydroisochromen-1-one?
The canonical SMILES for 6,7-difluoro-3-phenyl-3,4-dihydroisochromen-1-one is O=C1OC(c2ccccc2)Cc2cc(F)c(F)cc21.
What is the InChIKey of 6,7-difluoro-3-phenyl-3,4-dihydroisochromen-1-one?
The InChIKey is YRNGTYRUOQELIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2O2/c16-12-6-10-7-14(9-4-2-1-3-5-9)19-15(18)11(10)8-13(12)17/h1-6,8,14H,7H2.
What are the key properties of 6,7-difluoro-3-phenyl-3,4-dihydroisochromen-1-one?
6,7-difluoro-3-phenyl-3,4-dihydroisochromen-1-one has a molecular weight of 260.24 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-3-phenyl-3,4-dihydroisochromen-1-one is sourced from PubChem (CID 114517364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).