(1R)-3-(4-fluorophenyl)-1-methyl-1H-isochromene

C16H13FO — CID 134968599

IUPAC(1R)-3-(4-fluorophenyl)-1-methyl-1H-isochromene
SMILESC[C@H]1OC(c2ccc(F)cc2)=Cc2ccccc21
InChIInChI=1S/C16H13FO/c1-11-15-5-3-2-4-13(15)10-16(18-11)12-6-8-14(17)9-7-12/h2-11H,1H3/t11-/m1/s1
InChIKeyVQYBRHCTHHDMKG-LLVKDONJSA-N
MW240.28 g/mol
LogP4.41
Rot. Bonds1

About (1R)-3-(4-fluorophenyl)-1-methyl-1H-isochromene

(1R)-3-(4-fluorophenyl)-1-methyl-1H-isochromene (PubChem CID 134968599) has the molecular formula C16H13FO and a molecular weight of 240.28 g/mol. Its IUPAC name is (1R)-3-(4-fluorophenyl)-1-methyl-1H-isochromene.

Molecular Properties

Compound Name(1R)-3-(4-fluorophenyl)-1-methyl-1H-isochromene
PubChem CID134968599
Molecular FormulaC16H13FO
Molecular Weight240.28 g/mol
Exact Mass240.10
IUPAC Name(1R)-3-(4-fluorophenyl)-1-methyl-1H-isochromene
SMILESC[C@H]1OC(c2ccc(F)cc2)=Cc2ccccc21
InChIInChI=1S/C16H13FO/c1-11-15-5-3-2-4-13(15)10-16(18-11)12-6-8-14(17)9-7-12/h2-11H,1H3/t11-/m1/s1
InChIKeyVQYBRHCTHHDMKG-LLVKDONJSA-N
XLogP4.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 54.41
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)-6-fluoro-1-methyl-3-(4-methylphenyl)-1H-isochromene
CID 134968652
(1R)-1,3-diphenyl-1H-isochromene
CID 134958750
2-(4-fluorophenyl)-4-methyl-4H-chromene
CID 70356330
1-ethenyl-3-phenyl-1H-isochromene
CID 15488576
3-[(1S)-3-(3-fluorophenyl)-1H-isochromen-1-yl]pentane-2,4-dione
CID 132550831
[1-[(4-fluorophenyl)methyl]-1H-inden-2-yl]-trimethylsilane
CID 102218573
1-[3-(3-fluorophenyl)-1H-isochromen-1-yl]-1-phenylpropan-2-one
CID 132550833
3-(4-bromophenyl)-1-(2,4,6-trimethoxyphenyl)-1H-isochromene
CID 102369605
8-[4-(4-fluorophenyl)phenyl]-4-methyl-3,4-dihydro-1,2λ6,3-benzoxathiazine 2,2-dioxide
CID 163671230
11-(4-fluorophenyl)-9-methyl-12-oxa-8-azatricyclo[7.3.1.02,7]trideca-2,4,6,10-tetraene
CID 169317835
(3E)-3-[(4-fluorophenyl)methylidene]-5-phenylfuran-2-one
CID 5394659
2-(4-fluorophenyl)-3a,9a-dihydrobenzo[f][1,3]benzoxazole-4,9-dione
CID 134149840

Frequently Asked Questions

What is the IUPAC name of (1R)-3-(4-fluorophenyl)-1-methyl-1H-isochromene?
The IUPAC name of (1R)-3-(4-fluorophenyl)-1-methyl-1H-isochromene (CID 134968599) is (1R)-3-(4-fluorophenyl)-1-methyl-1H-isochromene.
What is the SMILES notation for (1R)-3-(4-fluorophenyl)-1-methyl-1H-isochromene?
The canonical SMILES for (1R)-3-(4-fluorophenyl)-1-methyl-1H-isochromene is C[C@H]1OC(c2ccc(F)cc2)=Cc2ccccc21.
What is the InChIKey of (1R)-3-(4-fluorophenyl)-1-methyl-1H-isochromene?
The InChIKey is VQYBRHCTHHDMKG-LLVKDONJSA-N. The full InChI is InChI=1S/C16H13FO/c1-11-15-5-3-2-4-13(15)10-16(18-11)12-6-8-14(17)9-7-12/h2-11H,1H3/t11-/m1/s1.
What are the key properties of (1R)-3-(4-fluorophenyl)-1-methyl-1H-isochromene?
(1R)-3-(4-fluorophenyl)-1-methyl-1H-isochromene has a molecular weight of 240.28 g/mol, XLogP of 4.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-(4-fluorophenyl)-1-methyl-1H-isochromene is sourced from PubChem (CID 134968599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).