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

C15H11Cl2FO2 — CID 114714517

IUPAC6-chloro-2-(4-chloro-3-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol
SMILESOC1CC(c2ccc(Cl)c(F)c2)Oc2ccc(Cl)cc21
InChIInChI=1S/C15H11Cl2FO2/c16-9-2-4-14-10(6-9)13(19)7-15(20-14)8-1-3-11(17)12(18)5-8/h1-6,13,15,19H,7H2
InChIKeyBQYJXDISJVDHGK-UHFFFAOYSA-N
MW313.16 g/mol
LogP4.69
Rot. Bonds1

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

6-chloro-2-(4-chloro-3-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 114714517) has the molecular formula C15H11Cl2FO2 and a molecular weight of 313.16 g/mol. Its IUPAC name is 6-chloro-2-(4-chloro-3-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name6-chloro-2-(4-chloro-3-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol
PubChem CID114714517
Molecular FormulaC15H11Cl2FO2
Molecular Weight313.16 g/mol
Exact Mass312.01
IUPAC Name6-chloro-2-(4-chloro-3-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol
SMILESOC1CC(c2ccc(Cl)c(F)c2)Oc2ccc(Cl)cc21
InChIInChI=1S/C15H11Cl2FO2/c16-9-2-4-14-10(6-9)13(19)7-15(20-14)8-1-3-11(17)12(18)5-8/h1-6,13,15,19H,7H2
InChIKeyBQYJXDISJVDHGK-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

(4S)-6-chloro-2-(3,4-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104948892
(4S)-2-(4-chloro-3-fluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104950609
(4R)-2-(4-chloro-3-fluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104950383
(4R)-6-bromo-2-(4-chloro-3-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104951446
2-(3-bromo-4-fluorophenyl)-6-chloro-3,4-dihydro-2H-chromen-4-ol
CID 114714436
6-chloro-2-(3-chloro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 106819475
6-chloro-2-(4-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714604
6-chloro-2-(4-chloro-3-fluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711272
(4R)-6-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-2H-chromen-4-ol
CID 104949177
6-chloro-2-(3,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714427
(4R)-6-chloro-2-(3,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104949116
(4R)-2-(3-chloro-4-fluorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104950909

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-chloro-3-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 6-chloro-2-(4-chloro-3-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol (CID 114714517) is 6-chloro-2-(4-chloro-3-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 6-chloro-2-(4-chloro-3-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 6-chloro-2-(4-chloro-3-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol is OC1CC(c2ccc(Cl)c(F)c2)Oc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-2-(4-chloro-3-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is BQYJXDISJVDHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2FO2/c16-9-2-4-14-10(6-9)13(19)7-15(20-14)8-1-3-11(17)12(18)5-8/h1-6,13,15,19H,7H2.
What are the key properties of 6-chloro-2-(4-chloro-3-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol?
6-chloro-2-(4-chloro-3-fluorophenyl)-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 6-chloro-2-(4-chloro-3-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 114714517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).