(4R)-2-(2,6-dichlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol

C15H11Cl2FO2 — CID 104951630

IUPAC(4R)-2-(2,6-dichlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
SMILESO[C@@H]1CC(c2c(Cl)cccc2Cl)Oc2cc(F)ccc21
InChIInChI=1S/C15H11Cl2FO2/c16-10-2-1-3-11(17)15(10)14-7-12(19)9-5-4-8(18)6-13(9)20-14/h1-6,12,14,19H,7H2/t12-,14?/m1/s1
InChIKeySYKDZTDSHDIVJF-PUODRLBUSA-N
MW313.16 g/mol
LogP4.69
Rot. Bonds1

About (4R)-2-(2,6-dichlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol

(4R)-2-(2,6-dichlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol (PubChem CID 104951630) has the molecular formula C15H11Cl2FO2 and a molecular weight of 313.16 g/mol. Its IUPAC name is (4R)-2-(2,6-dichlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4R)-2-(2,6-dichlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
PubChem CID104951630
Molecular FormulaC15H11Cl2FO2
Molecular Weight313.16 g/mol
Exact Mass312.01
IUPAC Name(4R)-2-(2,6-dichlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
SMILESO[C@@H]1CC(c2c(Cl)cccc2Cl)Oc2cc(F)ccc21
InChIInChI=1S/C15H11Cl2FO2/c16-10-2-1-3-11(17)15(10)14-7-12(19)9-5-4-8(18)6-13(9)20-14/h1-6,12,14,19H,7H2/t12-,14?/m1/s1
InChIKeySYKDZTDSHDIVJF-PUODRLBUSA-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

(4R)-2-(2-chloro-6-methoxyphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104948265
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
(4R)-2-(4-bromo-2-chlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104951757
(4S)-7-fluoro-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 104951796
7-fluoro-2-(2-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715763
(4R)-2-(2-chlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104948273
(4R)-2-(4-bromo-5-chlorothiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 102846033
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
6-bromo-2-(2-chloro-6-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715610
7-fluoro-2-(3-fluoro-4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 107694148

Frequently Asked Questions

What is the IUPAC name of (4R)-2-(2,6-dichlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4R)-2-(2,6-dichlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol (CID 104951630) is (4R)-2-(2,6-dichlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4R)-2-(2,6-dichlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4R)-2-(2,6-dichlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol is O[C@@H]1CC(c2c(Cl)cccc2Cl)Oc2cc(F)ccc21.
What is the InChIKey of (4R)-2-(2,6-dichlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is SYKDZTDSHDIVJF-PUODRLBUSA-N. The full InChI is InChI=1S/C15H11Cl2FO2/c16-10-2-1-3-11(17)15(10)14-7-12(19)9-5-4-8(18)6-13(9)20-14/h1-6,12,14,19H,7H2/t12-,14?/m1/s1.
What are the key properties of (4R)-2-(2,6-dichlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol?
(4R)-2-(2,6-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 (4R)-2-(2,6-dichlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 104951630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).