6-bromo-2-(3,4-dichlorophenyl)-3,4-dihydro-2H-chromen-4-ol

C15H11BrCl2O2 — CID 114715570

IUPAC6-bromo-2-(3,4-dichlorophenyl)-3,4-dihydro-2H-chromen-4-ol
SMILESOC1CC(c2ccc(Cl)c(Cl)c2)Oc2ccc(Br)cc21
InChIInChI=1S/C15H11BrCl2O2/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
InChIKeyPRRHPHMLDKQIHB-UHFFFAOYSA-N
MW374.06 g/mol
LogP5.31
Rot. Bonds1

About 6-bromo-2-(3,4-dichlorophenyl)-3,4-dihydro-2H-chromen-4-ol

6-bromo-2-(3,4-dichlorophenyl)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 114715570) has the molecular formula C15H11BrCl2O2 and a molecular weight of 374.06 g/mol. Its IUPAC name is 6-bromo-2-(3,4-dichlorophenyl)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name6-bromo-2-(3,4-dichlorophenyl)-3,4-dihydro-2H-chromen-4-ol
PubChem CID114715570
Molecular FormulaC15H11BrCl2O2
Molecular Weight374.06 g/mol
Exact Mass371.93
IUPAC Name6-bromo-2-(3,4-dichlorophenyl)-3,4-dihydro-2H-chromen-4-ol
SMILESOC1CC(c2ccc(Cl)c(Cl)c2)Oc2ccc(Br)cc21
InChIInChI=1S/C15H11BrCl2O2/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
InChIKeyPRRHPHMLDKQIHB-UHFFFAOYSA-N
XLogP5.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.06
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-6-bromo-2-(4-chloro-3-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104951446
(4S)-6-bromo-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104951295
(4R)-2-(1,3-benzodioxol-5-yl)-6-bromo-3,4-dihydro-2H-chromen-4-ol
CID 104951434
(4R)-6-bromo-2-(4-fluoro-3-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104951447
(4S)-6-bromo-2-(3,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104951129
(4S)-6-bromo-2-[4-(difluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol
CID 104951173
(4S)-6-bromo-2-(4-methylsulfanylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104951096
(4S)-2-(3-bromo-4-chlorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104949823
6-chloro-2-(4-chloro-3-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714517
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-bromo-2-(2-chloro-6-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715610

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(3,4-dichlorophenyl)-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 6-bromo-2-(3,4-dichlorophenyl)-3,4-dihydro-2H-chromen-4-ol (CID 114715570) is 6-bromo-2-(3,4-dichlorophenyl)-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 6-bromo-2-(3,4-dichlorophenyl)-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 6-bromo-2-(3,4-dichlorophenyl)-3,4-dihydro-2H-chromen-4-ol is OC1CC(c2ccc(Cl)c(Cl)c2)Oc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-2-(3,4-dichlorophenyl)-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is PRRHPHMLDKQIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrCl2O2/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-bromo-2-(3,4-dichlorophenyl)-3,4-dihydro-2H-chromen-4-ol?
6-bromo-2-(3,4-dichlorophenyl)-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 374.06 g/mol, XLogP of 5.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(3,4-dichlorophenyl)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 114715570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).