8-(4-fluorophenyl)-3,4-dihydro-1H-isochromene

C15H13FO — CID 171496490

IUPAC8-(4-fluorophenyl)-3,4-dihydro-1H-isochromene
SMILESFc1ccc(-c2cccc3c2COCC3)cc1
InChIInChI=1S/C15H13FO/c16-13-6-4-12(5-7-13)14-3-1-2-11-8-9-17-10-15(11)14/h1-7H,8-10H2
InChIKeySULRDEZPTWAZDE-UHFFFAOYSA-N
MW228.27 g/mol
LogP3.57
Rot. Bonds1

About 8-(4-fluorophenyl)-3,4-dihydro-1H-isochromene

8-(4-fluorophenyl)-3,4-dihydro-1H-isochromene (PubChem CID 171496490) has the molecular formula C15H13FO and a molecular weight of 228.27 g/mol. Its IUPAC name is 8-(4-fluorophenyl)-3,4-dihydro-1H-isochromene.

Molecular Properties

Compound Name8-(4-fluorophenyl)-3,4-dihydro-1H-isochromene
PubChem CID171496490
Molecular FormulaC15H13FO
Molecular Weight228.27 g/mol
Exact Mass228.10
IUPAC Name8-(4-fluorophenyl)-3,4-dihydro-1H-isochromene
SMILESFc1ccc(-c2cccc3c2COCC3)cc1
InChIInChI=1S/C15H13FO/c16-13-6-4-12(5-7-13)14-3-1-2-11-8-9-17-10-15(11)14/h1-7H,8-10H2
InChIKeySULRDEZPTWAZDE-UHFFFAOYSA-N
XLogP3.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

8-fluoro-3,4-dihydro-1H-isochromene;N-methylmethanamine
CID 142279514
8-chloro-3,4-dihydro-1H-isochromene
CID 90917909
4-(3,4-dihydro-1H-isochromen-8-yl)-1H-pyrazol-5-amine
CID 117306878
1-[8-(4-fluorophenyl)-3,4-dihydro-1H-isochromen-4-yl]-N-methylmethanamine
CID 171496615
8-methyl-3,4-dihydro-1H-isochromene;N-methylmethanamine
CID 142279468
4-(3,4-dihydro-1H-isochromen-5-yl)-1H-pyrazole
CID 137477380
6,8-difluoro-3,4-dihydro-1H-isochromene
CID 67072865
(2R)-8-(4-fluorophenyl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10426492
3,4-dihydro-1H-isochromen-8-ylmethanamine
CID 82596475
4-(3,4-dihydro-1H-isochromen-5-yl)pyridine;N,N-dimethylmethanamine
CID 142525785
4-(1,3,4,5-tetrahydro-2-benzoxepin-6-yl)pyridine
CID 137477388
7-(4-fluorophenyl)-3H-1-benzofuran-2-one
CID 159249649

Frequently Asked Questions

What is the IUPAC name of 8-(4-fluorophenyl)-3,4-dihydro-1H-isochromene?
The IUPAC name of 8-(4-fluorophenyl)-3,4-dihydro-1H-isochromene (CID 171496490) is 8-(4-fluorophenyl)-3,4-dihydro-1H-isochromene.
What is the SMILES notation for 8-(4-fluorophenyl)-3,4-dihydro-1H-isochromene?
The canonical SMILES for 8-(4-fluorophenyl)-3,4-dihydro-1H-isochromene is Fc1ccc(-c2cccc3c2COCC3)cc1.
What is the InChIKey of 8-(4-fluorophenyl)-3,4-dihydro-1H-isochromene?
The InChIKey is SULRDEZPTWAZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO/c16-13-6-4-12(5-7-13)14-3-1-2-11-8-9-17-10-15(11)14/h1-7H,8-10H2.
What are the key properties of 8-(4-fluorophenyl)-3,4-dihydro-1H-isochromene?
8-(4-fluorophenyl)-3,4-dihydro-1H-isochromene has a molecular weight of 228.27 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluorophenyl)-3,4-dihydro-1H-isochromene is sourced from PubChem (CID 171496490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).