2-(3,5-dimethylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol

C17H17FO2 — CID 114715712

IUPAC2-(3,5-dimethylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
SMILESCc1cc(C)cc(C2CC(O)c3ccc(F)cc3O2)c1
InChIInChI=1S/C17H17FO2/c1-10-5-11(2)7-12(6-10)16-9-15(19)14-4-3-13(18)8-17(14)20-16/h3-8,15-16,19H,9H2,1-2H3
InChIKeyNBCRUJIGXJNSBL-UHFFFAOYSA-N
MW272.32 g/mol
LogP4.00
Rot. Bonds1

About 2-(3,5-dimethylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol

2-(3,5-dimethylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol (PubChem CID 114715712) has the molecular formula C17H17FO2 and a molecular weight of 272.32 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
PubChem CID114715712
Molecular FormulaC17H17FO2
Molecular Weight272.32 g/mol
Exact Mass272.12
IUPAC Name2-(3,5-dimethylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
SMILESCc1cc(C)cc(C2CC(O)c3ccc(F)cc3O2)c1
InChIInChI=1S/C17H17FO2/c1-10-5-11(2)7-12(6-10)16-9-15(19)14-4-3-13(18)8-17(14)20-16/h3-8,15-16,19H,9H2,1-2H3
InChIKeyNBCRUJIGXJNSBL-UHFFFAOYSA-N
XLogP4.00
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-2-(3,5-dimethylphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104948056
2-(3,5-dichlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114715772
(4S)-7-fluoro-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 104951796
7-fluoro-2-(3-fluoro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715884
2-(4-bromophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114715787
7-fluoro-2-(3-fluoro-4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 107694148
2-(3-chlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114715770
7-fluoro-2-(2-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715763
(4S)-2-(3-ethoxyphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104951800
2-(3-ethoxyphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114715708
(4S)-7-bromo-2-(3,5-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 106534714
6-chloro-2-(3,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714427

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 2-(3,5-dimethylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol (CID 114715712) is 2-(3,5-dimethylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 2-(3,5-dimethylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol is Cc1cc(C)cc(C2CC(O)c3ccc(F)cc3O2)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is NBCRUJIGXJNSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO2/c1-10-5-11(2)7-12(6-10)16-9-15(19)14-4-3-13(18)8-17(14)20-16/h3-8,15-16,19H,9H2,1-2H3.
What are the key properties of 2-(3,5-dimethylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol?
2-(3,5-dimethylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 272.32 g/mol, XLogP of 4.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 114715712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).