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

C15H12ClFO2 — CID 114715770

IUPAC2-(3-chlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
SMILESOC1CC(c2cccc(Cl)c2)Oc2cc(F)ccc21
InChIInChI=1S/C15H12ClFO2/c16-10-3-1-2-9(6-10)14-8-13(18)12-5-4-11(17)7-15(12)19-14/h1-7,13-14,18H,8H2
InChIKeyZHSCPTFOCWETMH-UHFFFAOYSA-N
MW278.71 g/mol
LogP4.04
Rot. Bonds1

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

2-(3-chlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol (PubChem CID 114715770) has the molecular formula C15H12ClFO2 and a molecular weight of 278.71 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name2-(3-chlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
PubChem CID114715770
Molecular FormulaC15H12ClFO2
Molecular Weight278.71 g/mol
Exact Mass278.05
IUPAC Name2-(3-chlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
SMILESOC1CC(c2cccc(Cl)c2)Oc2cc(F)ccc21
InChIInChI=1S/C15H12ClFO2/c16-10-3-1-2-9(6-10)14-8-13(18)12-5-4-11(17)7-15(12)19-14/h1-7,13-14,18H,8H2
InChIKeyZHSCPTFOCWETMH-UHFFFAOYSA-N
XLogP4.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.71
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-2-(3-chlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104948114
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
(4R)-2-(2,6-dichlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104951630
7-fluoro-2-(3-fluoro-4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 107694148
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
2-(3-ethoxyphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114715708
(4S)-2-(3-ethoxyphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104951800
7-fluoro-2-(3-fluoro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715884
7-fluoro-2-(2-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715763
(4R)-2-(4-bromo-2-chlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104951757

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 2-(3-chlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol (CID 114715770) is 2-(3-chlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 2-(3-chlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 2-(3-chlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol is OC1CC(c2cccc(Cl)c2)Oc2cc(F)ccc21.
What is the InChIKey of 2-(3-chlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is ZHSCPTFOCWETMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFO2/c16-10-3-1-2-9(6-10)14-8-13(18)12-5-4-11(17)7-15(12)19-14/h1-7,13-14,18H,8H2.
What are the key properties of 2-(3-chlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol?
2-(3-chlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 278.71 g/mol, XLogP of 4.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 114715770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).