2-(2-bromo-5-chlorophenyl)-3,4-dihydro-2H-chromen-4-ol

C15H12BrClO2 — CID 114715019

IUPAC2-(2-bromo-5-chlorophenyl)-3,4-dihydro-2H-chromen-4-ol
SMILESOC1CC(c2cc(Cl)ccc2Br)Oc2ccccc21
InChIInChI=1S/C15H12BrClO2/c16-12-6-5-9(17)7-11(12)15-8-13(18)10-3-1-2-4-14(10)19-15/h1-7,13,15,18H,8H2
InChIKeyQJJGSCATWYIQBY-UHFFFAOYSA-N
MW339.62 g/mol
LogP4.66
Rot. Bonds1

About 2-(2-bromo-5-chlorophenyl)-3,4-dihydro-2H-chromen-4-ol

2-(2-bromo-5-chlorophenyl)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 114715019) has the molecular formula C15H12BrClO2 and a molecular weight of 339.62 g/mol. Its IUPAC name is 2-(2-bromo-5-chlorophenyl)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name2-(2-bromo-5-chlorophenyl)-3,4-dihydro-2H-chromen-4-ol
PubChem CID114715019
Molecular FormulaC15H12BrClO2
Molecular Weight339.62 g/mol
Exact Mass337.97
IUPAC Name2-(2-bromo-5-chlorophenyl)-3,4-dihydro-2H-chromen-4-ol
SMILESOC1CC(c2cc(Cl)ccc2Br)Oc2ccccc21
InChIInChI=1S/C15H12BrClO2/c16-12-6-5-9(17)7-11(12)15-8-13(18)10-3-1-2-4-14(10)19-15/h1-7,13,15,18H,8H2
InChIKeyQJJGSCATWYIQBY-UHFFFAOYSA-N
XLogP4.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.62
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-2-(2-bromo-5-chlorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104946067
6-chloro-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714567
(4S)-2-(3-bromo-4-chlorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104949823
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
6-chloro-2-(2,3-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714453
(4R)-2-(4-bromothiophen-2-yl)-6-chloro-3,4-dihydro-2H-chromen-4-ol
CID 104949114
(4S)-7-bromo-2-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104980275
(4R)-2-(2-bromo-4-chlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104950362
2-(3-bromo-4-fluorophenyl)-6-chloro-3,4-dihydro-2H-chromen-4-ol
CID 114714436
(4S)-2-(4-bromo-5-chlorothiophen-2-yl)-6-chloro-3,4-dihydro-2H-chromen-4-ol
CID 102845999
2-(4-bromo-5-chlorothiophen-2-yl)-6-chloro-3,4-dihydro-2H-chromen-4-ol
CID 102845967

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-chlorophenyl)-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 2-(2-bromo-5-chlorophenyl)-3,4-dihydro-2H-chromen-4-ol (CID 114715019) is 2-(2-bromo-5-chlorophenyl)-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 2-(2-bromo-5-chlorophenyl)-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 2-(2-bromo-5-chlorophenyl)-3,4-dihydro-2H-chromen-4-ol is OC1CC(c2cc(Cl)ccc2Br)Oc2ccccc21.
What is the InChIKey of 2-(2-bromo-5-chlorophenyl)-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is QJJGSCATWYIQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClO2/c16-12-6-5-9(17)7-11(12)15-8-13(18)10-3-1-2-4-14(10)19-15/h1-7,13,15,18H,8H2.
What are the key properties of 2-(2-bromo-5-chlorophenyl)-3,4-dihydro-2H-chromen-4-ol?
2-(2-bromo-5-chlorophenyl)-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 339.62 g/mol, XLogP of 4.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-chlorophenyl)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 114715019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).