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

C15H11Cl2FO2 — CID 114715772

IUPAC2-(3,5-dichlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
SMILESOC1CC(c2cc(Cl)cc(Cl)c2)Oc2cc(F)ccc21
InChIInChI=1S/C15H11Cl2FO2/c16-9-3-8(4-10(17)5-9)14-7-13(19)12-2-1-11(18)6-15(12)20-14/h1-6,13-14,19H,7H2
InChIKeyJBIHZHOXASQSBK-UHFFFAOYSA-N
MW313.16 g/mol
LogP4.69
Rot. Bonds1

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

2-(3,5-dichlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol (PubChem CID 114715772) has the molecular formula C15H11Cl2FO2 and a molecular weight of 313.16 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name2-(3,5-dichlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
PubChem CID114715772
Molecular FormulaC15H11Cl2FO2
Molecular Weight313.16 g/mol
Exact Mass312.01
IUPAC Name2-(3,5-dichlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
SMILESOC1CC(c2cc(Cl)cc(Cl)c2)Oc2cc(F)ccc21
InChIInChI=1S/C15H11Cl2FO2/c16-9-3-8(4-10(17)5-9)14-7-13(19)12-2-1-11(18)6-15(12)20-14/h1-6,13-14,19H,7H2
InChIKeyJBIHZHOXASQSBK-UHFFFAOYSA-N
XLogP4.69
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.16
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114715770
2-(3,5-dimethylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114715712
(4S)-7-fluoro-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 104951796
(4R)-2-(2,6-dichlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104951630
2-(4-bromophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114715787
(4S)-2-(3-chlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104948114
7-fluoro-2-(3-fluoro-4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 107694148
7-fluoro-2-(3-fluoro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715884
(4R)-2-(4-bromo-2-chlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104951757
7-fluoro-2-(2-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715763
(4R)-2-(4-bromo-5-chlorothiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 102846033
(4S)-7-bromo-2-(3,5-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 106534714

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 2-(3,5-dichlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol (CID 114715772) is 2-(3,5-dichlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 2-(3,5-dichlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 2-(3,5-dichlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol is OC1CC(c2cc(Cl)cc(Cl)c2)Oc2cc(F)ccc21.
What is the InChIKey of 2-(3,5-dichlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is JBIHZHOXASQSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2FO2/c16-9-3-8(4-10(17)5-9)14-7-13(19)12-2-1-11(18)6-15(12)20-14/h1-6,13-14,19H,7H2.
What are the key properties of 2-(3,5-dichlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol?
2-(3,5-dichlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 313.16 g/mol, XLogP of 4.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 114715772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).