2-(4-bromo-2-chlorophenyl)-7-methoxy-2,3-dihydrochromen-4-one

C16H12BrClO3 — CID 114672447

IUPAC2-(4-bromo-2-chlorophenyl)-7-methoxy-2,3-dihydrochromen-4-one
SMILESCOc1ccc2c(c1)OC(c1ccc(Br)cc1Cl)CC2=O
InChIInChI=1S/C16H12BrClO3/c1-20-10-3-5-12-14(19)8-16(21-15(12)7-10)11-4-2-9(17)6-13(11)18/h2-7,16H,8H2,1H3
InChIKeyYTJHMBDHFPKXTE-UHFFFAOYSA-N
MW367.63 g/mol
LogP4.82
Rot. Bonds2

About 2-(4-bromo-2-chlorophenyl)-7-methoxy-2,3-dihydrochromen-4-one

2-(4-bromo-2-chlorophenyl)-7-methoxy-2,3-dihydrochromen-4-one (PubChem CID 114672447) has the molecular formula C16H12BrClO3 and a molecular weight of 367.63 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)-7-methoxy-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)-7-methoxy-2,3-dihydrochromen-4-one
PubChem CID114672447
Molecular FormulaC16H12BrClO3
Molecular Weight367.63 g/mol
Exact Mass365.97
IUPAC Name2-(4-bromo-2-chlorophenyl)-7-methoxy-2,3-dihydrochromen-4-one
SMILESCOc1ccc2c(c1)OC(c1ccc(Br)cc1Cl)CC2=O
InChIInChI=1S/C16H12BrClO3/c1-20-10-3-5-12-14(19)8-16(21-15(12)7-10)11-4-2-9(17)6-13(11)18/h2-7,16H,8H2,1H3
InChIKeyYTJHMBDHFPKXTE-UHFFFAOYSA-N
XLogP4.82
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.63
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromophenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 114672505
2-(2,3-dimethylphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 114672549
2-(4-bromo-2-fluorophenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 114673847
2-(4,5-dibromothiophen-2-yl)-7-methoxy-2,3-dihydrochromen-4-one
CID 102846041
2-(3,5-dimethylphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 114672605
2-(3-bromophenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 114673979
2-(4-bromo-2-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 114709925
2-(4-bromo-2-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 114715455
(2S)-7-methoxy-2-methyl-2,3-dihydrochromen-4-one
CID 40595579
2-(2,6-dichlorophenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 114673789
7-bromo-2-(2-methylphenyl)-2,3-dihydrochromen-4-one
CID 114673081
2-(3,5-dihydroxy-4-methoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 73299305

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)-7-methoxy-2,3-dihydrochromen-4-one?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)-7-methoxy-2,3-dihydrochromen-4-one (CID 114672447) is 2-(4-bromo-2-chlorophenyl)-7-methoxy-2,3-dihydrochromen-4-one.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)-7-methoxy-2,3-dihydrochromen-4-one?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)-7-methoxy-2,3-dihydrochromen-4-one is COc1ccc2c(c1)OC(c1ccc(Br)cc1Cl)CC2=O.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)-7-methoxy-2,3-dihydrochromen-4-one?
The InChIKey is YTJHMBDHFPKXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrClO3/c1-20-10-3-5-12-14(19)8-16(21-15(12)7-10)11-4-2-9(17)6-13(11)18/h2-7,16H,8H2,1H3.
What are the key properties of 2-(4-bromo-2-chlorophenyl)-7-methoxy-2,3-dihydrochromen-4-one?
2-(4-bromo-2-chlorophenyl)-7-methoxy-2,3-dihydrochromen-4-one has a molecular weight of 367.63 g/mol, XLogP of 4.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenyl)-7-methoxy-2,3-dihydrochromen-4-one is sourced from PubChem (CID 114672447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).