6-chloro-2-(2,3-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol

C15H11ClF2O2 — CID 114714453

IUPAC6-chloro-2-(2,3-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol
SMILESOC1CC(c2cccc(F)c2F)Oc2ccc(Cl)cc21
InChIInChI=1S/C15H11ClF2O2/c16-8-4-5-13-10(6-8)12(19)7-14(20-13)9-2-1-3-11(17)15(9)18/h1-6,12,14,19H,7H2
InChIKeyZHZDEGVWFIQOJH-UHFFFAOYSA-N
MW296.70 g/mol
LogP4.18
Rot. Bonds1

About 6-chloro-2-(2,3-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol

6-chloro-2-(2,3-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 114714453) has the molecular formula C15H11ClF2O2 and a molecular weight of 296.70 g/mol. Its IUPAC name is 6-chloro-2-(2,3-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name6-chloro-2-(2,3-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol
PubChem CID114714453
Molecular FormulaC15H11ClF2O2
Molecular Weight296.70 g/mol
Exact Mass296.04
IUPAC Name6-chloro-2-(2,3-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol
SMILESOC1CC(c2cccc(F)c2F)Oc2ccc(Cl)cc21
InChIInChI=1S/C15H11ClF2O2/c16-8-4-5-13-10(6-8)12(19)7-14(20-13)9-2-1-3-11(17)15(9)18/h1-6,12,14,19H,7H2
InChIKeyZHZDEGVWFIQOJH-UHFFFAOYSA-N
XLogP4.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.70
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-2-(2,3-difluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104950320
6-chloro-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714567
(4S)-6-chloro-2-(3,4-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104948892
6-chloro-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714479
(4R)-6-chloro-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104949171
(4S)-7-bromo-2-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104980275
6-chloro-2-(4-chloro-3-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714517
(4S)-2-(3-chlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104948114
2-(3-bromo-4-fluorophenyl)-6-chloro-3,4-dihydro-2H-chromen-4-ol
CID 114714436
(4R)-2-(4-chloro-2-fluorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104980296
(4R)-2-(2-chlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104948273
2-(2-bromo-5-chlorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715019

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2,3-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 6-chloro-2-(2,3-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol (CID 114714453) is 6-chloro-2-(2,3-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 6-chloro-2-(2,3-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 6-chloro-2-(2,3-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol is OC1CC(c2cccc(F)c2F)Oc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-2-(2,3-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is ZHZDEGVWFIQOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2O2/c16-8-4-5-13-10(6-8)12(19)7-14(20-13)9-2-1-3-11(17)15(9)18/h1-6,12,14,19H,7H2.
What are the key properties of 6-chloro-2-(2,3-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol?
6-chloro-2-(2,3-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 296.70 g/mol, XLogP of 4.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(2,3-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 114714453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).