(1S)-3-fluoro-1-methyl-7-phenyl-1H-isochromene

C16H13FO — CID 134966335

IUPAC(1S)-3-fluoro-1-methyl-7-phenyl-1H-isochromene
SMILESC[C@@H]1OC(F)=Cc2ccc(-c3ccccc3)cc21
InChIInChI=1S/C16H13FO/c1-11-15-9-13(12-5-3-2-4-6-12)7-8-14(15)10-16(17)18-11/h2-11H,1H3/t11-/m0/s1
InChIKeyWHVOENDLGJKISJ-NSHDSACASA-N
MW240.28 g/mol
LogP4.71
Rot. Bonds1

About (1S)-3-fluoro-1-methyl-7-phenyl-1H-isochromene

(1S)-3-fluoro-1-methyl-7-phenyl-1H-isochromene (PubChem CID 134966335) has the molecular formula C16H13FO and a molecular weight of 240.28 g/mol. Its IUPAC name is (1S)-3-fluoro-1-methyl-7-phenyl-1H-isochromene.

Molecular Properties

Compound Name(1S)-3-fluoro-1-methyl-7-phenyl-1H-isochromene
PubChem CID134966335
Molecular FormulaC16H13FO
Molecular Weight240.28 g/mol
Exact Mass240.10
IUPAC Name(1S)-3-fluoro-1-methyl-7-phenyl-1H-isochromene
SMILESC[C@@H]1OC(F)=Cc2ccc(-c3ccccc3)cc21
InChIInChI=1S/C16H13FO/c1-11-15-9-13(12-5-3-2-4-6-12)7-8-14(15)10-16(17)18-11/h2-11H,1H3/t11-/m0/s1
InChIKeyWHVOENDLGJKISJ-NSHDSACASA-N
XLogP4.71
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 ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1S)-3-fluoro-1-methyl-7-phenyl-1H-isochromene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(Naphthalen-2-yl)oxirane
CID 30333
1-Naphthylmethyl methyl ether
CID 22195
4,4-Bis(methoxymethyl)biphenyl
CID 1519430
4-(Methoxy-phenyl-methyl)-biphenyl
CID 4408101
9-Anthryloxirane
CID 43720
1-Pyrenyloxirane
CID 100333
p-Phenylstyrene oxide
CID 147632
3,4-Dimethylstyrene oxide
CID 159631
1a,9a-Dihydrophenanthro(1,2-b)oxirene
CID 148323
1a,9c-Dihydrophenanthro(3,4-b)oxirene
CID 148324
Pyrene-1,2-oxide
CID 9543286
Benzanthracene-8,9-oxide
CID 36838

Frequently Asked Questions

What is the IUPAC name of (1S)-3-fluoro-1-methyl-7-phenyl-1H-isochromene?
The IUPAC name of (1S)-3-fluoro-1-methyl-7-phenyl-1H-isochromene (CID 134966335) is (1S)-3-fluoro-1-methyl-7-phenyl-1H-isochromene.
What is the SMILES notation for (1S)-3-fluoro-1-methyl-7-phenyl-1H-isochromene?
The canonical SMILES for (1S)-3-fluoro-1-methyl-7-phenyl-1H-isochromene is C[C@@H]1OC(F)=Cc2ccc(-c3ccccc3)cc21.
What is the InChIKey of (1S)-3-fluoro-1-methyl-7-phenyl-1H-isochromene?
The InChIKey is WHVOENDLGJKISJ-NSHDSACASA-N. The full InChI is InChI=1S/C16H13FO/c1-11-15-9-13(12-5-3-2-4-6-12)7-8-14(15)10-16(17)18-11/h2-11H,1H3/t11-/m0/s1.
What are the key properties of (1S)-3-fluoro-1-methyl-7-phenyl-1H-isochromene?
(1S)-3-fluoro-1-methyl-7-phenyl-1H-isochromene has a molecular weight of 240.28 g/mol, XLogP of 4.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-fluoro-1-methyl-7-phenyl-1H-isochromene is sourced from PubChem (CID 134966335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).