7-fluoro-2-(3-fluoro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol

C16H14F2O2 — CID 114715884

IUPAC7-fluoro-2-(3-fluoro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
SMILESCc1ccc(C2CC(O)c3ccc(F)cc3O2)cc1F
InChIInChI=1S/C16H14F2O2/c1-9-2-3-10(6-13(9)18)15-8-14(19)12-5-4-11(17)7-16(12)20-15/h2-7,14-15,19H,8H2,1H3
InChIKeySZYGXDVBASSEOU-UHFFFAOYSA-N
MW276.28 g/mol
LogP3.83
Rot. Bonds1

About 7-fluoro-2-(3-fluoro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol

7-fluoro-2-(3-fluoro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 114715884) has the molecular formula C16H14F2O2 and a molecular weight of 276.28 g/mol. Its IUPAC name is 7-fluoro-2-(3-fluoro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name7-fluoro-2-(3-fluoro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
PubChem CID114715884
Molecular FormulaC16H14F2O2
Molecular Weight276.28 g/mol
Exact Mass276.10
IUPAC Name7-fluoro-2-(3-fluoro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
SMILESCc1ccc(C2CC(O)c3ccc(F)cc3O2)cc1F
InChIInChI=1S/C16H14F2O2/c1-9-2-3-10(6-13(9)18)15-8-14(19)12-5-4-11(17)7-16(12)20-15/h2-7,14-15,19H,8H2,1H3
InChIKeySZYGXDVBASSEOU-UHFFFAOYSA-N
XLogP3.83
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-fluoro-2-(3-fluoro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol 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

7-fluoro-2-(3-fluoro-4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 107694148
2-(3-fluoro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715039
2-(3,5-dimethylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114715712
2-(4-bromophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114715787
(4S)-7-fluoro-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 104951796
2-(3-chlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114715770
2-(3,5-dichlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114715772
7-fluoro-2-(2-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715763
(4R)-2-(4-fluoro-3-methylphenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104948583
2-(4-bromo-3-methylphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114714057
6-fluoro-2-(3-fluoro-4-methylphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114710423
2-(3-ethoxyphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114715708

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-(3-fluoro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 7-fluoro-2-(3-fluoro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol (CID 114715884) is 7-fluoro-2-(3-fluoro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 7-fluoro-2-(3-fluoro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 7-fluoro-2-(3-fluoro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol is Cc1ccc(C2CC(O)c3ccc(F)cc3O2)cc1F.
What is the InChIKey of 7-fluoro-2-(3-fluoro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is SZYGXDVBASSEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2O2/c1-9-2-3-10(6-13(9)18)15-8-14(19)12-5-4-11(17)7-16(12)20-15/h2-7,14-15,19H,8H2,1H3.
What are the key properties of 7-fluoro-2-(3-fluoro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol?
7-fluoro-2-(3-fluoro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 276.28 g/mol, XLogP of 3.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-(3-fluoro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 114715884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).