(1R)-6-fluoro-1-methyl-3-(4-methylphenyl)-1H-isochromene

C17H15FO — CID 134968652

IUPAC(1R)-6-fluoro-1-methyl-3-(4-methylphenyl)-1H-isochromene
SMILESCc1ccc(C2=Cc3cc(F)ccc3[C@@H](C)O2)cc1
InChIInChI=1S/C17H15FO/c1-11-3-5-13(6-4-11)17-10-14-9-15(18)7-8-16(14)12(2)19-17/h3-10,12H,1-2H3/t12-/m1/s1
InChIKeyZIBVQDHUJIWYJB-GFCCVEGCSA-N
MW254.30 g/mol
LogP4.72
Rot. Bonds1

About (1R)-6-fluoro-1-methyl-3-(4-methylphenyl)-1H-isochromene

(1R)-6-fluoro-1-methyl-3-(4-methylphenyl)-1H-isochromene (PubChem CID 134968652) has the molecular formula C17H15FO and a molecular weight of 254.30 g/mol. Its IUPAC name is (1R)-6-fluoro-1-methyl-3-(4-methylphenyl)-1H-isochromene.

Molecular Properties

Compound Name(1R)-6-fluoro-1-methyl-3-(4-methylphenyl)-1H-isochromene
PubChem CID134968652
Molecular FormulaC17H15FO
Molecular Weight254.30 g/mol
Exact Mass254.11
IUPAC Name(1R)-6-fluoro-1-methyl-3-(4-methylphenyl)-1H-isochromene
SMILESCc1ccc(C2=Cc3cc(F)ccc3[C@@H](C)O2)cc1
InChIInChI=1S/C17H15FO/c1-11-3-5-13(6-4-11)17-10-14-9-15(18)7-8-16(14)12(2)19-17/h3-10,12H,1-2H3/t12-/m1/s1
InChIKeyZIBVQDHUJIWYJB-GFCCVEGCSA-N
XLogP4.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(1R)-3-(4-fluorophenyl)-1-methyl-1H-isochromene
CID 134968599
3-[(1S)-3-(3-fluorophenyl)-1H-isochromen-1-yl]pentane-2,4-dione
CID 132550831
1-fluoro-4-[3-(4-methylphenyl)phenyl]benzene
CID 23629230
3-(2,4-difluorophenyl)-5-methyl-3H-2-benzofuran-1-one
CID 154715728
1-fluoro-4-methylbenzene;methane
CID 158431518
chromium;1-fluoro-4-methylbenzene
CID 139244082
1-[3-(3-fluorophenyl)-1H-isochromen-1-yl]-1-phenylpropan-2-one
CID 132550833
2-(4-fluoro-2-methylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114709770
(2R,3R)-2-(2,4-difluorophenyl)-3-methyloxirane
CID 131874606
7-fluoro-2-(4-methylsulfanylphenyl)-4H-chromene-4-carbaldehyde
CID 174375611
1-[5-fluoro-2-(4-methylphenyl)phenyl]ethanone
CID 175647024
1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[(4-methylphenyl)methyl]urea
CID 60577386

Frequently Asked Questions

What is the IUPAC name of (1R)-6-fluoro-1-methyl-3-(4-methylphenyl)-1H-isochromene?
The IUPAC name of (1R)-6-fluoro-1-methyl-3-(4-methylphenyl)-1H-isochromene (CID 134968652) is (1R)-6-fluoro-1-methyl-3-(4-methylphenyl)-1H-isochromene.
What is the SMILES notation for (1R)-6-fluoro-1-methyl-3-(4-methylphenyl)-1H-isochromene?
The canonical SMILES for (1R)-6-fluoro-1-methyl-3-(4-methylphenyl)-1H-isochromene is Cc1ccc(C2=Cc3cc(F)ccc3[C@@H](C)O2)cc1.
What is the InChIKey of (1R)-6-fluoro-1-methyl-3-(4-methylphenyl)-1H-isochromene?
The InChIKey is ZIBVQDHUJIWYJB-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H15FO/c1-11-3-5-13(6-4-11)17-10-14-9-15(18)7-8-16(14)12(2)19-17/h3-10,12H,1-2H3/t12-/m1/s1.
What are the key properties of (1R)-6-fluoro-1-methyl-3-(4-methylphenyl)-1H-isochromene?
(1R)-6-fluoro-1-methyl-3-(4-methylphenyl)-1H-isochromene has a molecular weight of 254.30 g/mol, XLogP of 4.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-6-fluoro-1-methyl-3-(4-methylphenyl)-1H-isochromene is sourced from PubChem (CID 134968652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).