8-bromo-6-chloro-2-(2-phenylethyl)chromen-4-one

C17H12BrClO2 — CID 42597369

IUPAC8-bromo-6-chloro-2-(2-phenylethyl)chromen-4-one
SMILESO=c1cc(CCc2ccccc2)oc2c(Br)cc(Cl)cc12
InChIInChI=1S/C17H12BrClO2/c18-15-9-12(19)8-14-16(20)10-13(21-17(14)15)7-6-11-4-2-1-3-5-11/h1-5,8-10H,6-7H2
InChIKeyBSDGZLUCJHPCCB-UHFFFAOYSA-N
MW363.64 g/mol
LogP4.99
Rot. Bonds3

About 8-bromo-6-chloro-2-(2-phenylethyl)chromen-4-one

8-bromo-6-chloro-2-(2-phenylethyl)chromen-4-one (PubChem CID 42597369) has the molecular formula C17H12BrClO2 and a molecular weight of 363.64 g/mol. Its IUPAC name is 8-bromo-6-chloro-2-(2-phenylethyl)chromen-4-one.

Molecular Properties

Compound Name8-bromo-6-chloro-2-(2-phenylethyl)chromen-4-one
PubChem CID42597369
Molecular FormulaC17H12BrClO2
Molecular Weight363.64 g/mol
Exact Mass361.97
IUPAC Name8-bromo-6-chloro-2-(2-phenylethyl)chromen-4-one
SMILESO=c1cc(CCc2ccccc2)oc2c(Br)cc(Cl)cc12
InChIInChI=1S/C17H12BrClO2/c18-15-9-12(19)8-14-16(20)10-13(21-17(14)15)7-6-11-4-2-1-3-5-11/h1-5,8-10H,6-7H2
InChIKeyBSDGZLUCJHPCCB-UHFFFAOYSA-N
XLogP4.99
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.64
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-Chloroflavone
CID 248021
6-Bromoflavone
CID 466276
3'-Chloroflavone
CID 466272
3,6-Dichloro-2-phenyl-4h-chromen-4-one
CID 252696
2-(3-Bromophenyl)chromen-4-one
CID 493373
6-Chloro-2-(4-fluorophenyl)chromen-4-one
CID 919250
6-Chloro-2-(3-fluorophenyl)-4H-chromen-4-one
CID 593078
3-Acetyl-8-bromo-6-chlorochromen-2-one
CID 56642649
2-(3-bromophenyl)-6-chloro-4H-chromen-4-one
CID 919323
6-chloro-2-(2-fluorophenyl)-4H-chromen-4-one
CID 930600
6-chloro-2-[(E)-2-(4-methoxyphenyl)ethenyl]chromen-4-one
CID 6181973
6-Chloro-2-(3-chlorophenyl)-4H-chromen-4-one
CID 23275235

Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-chloro-2-(2-phenylethyl)chromen-4-one?
The IUPAC name of 8-bromo-6-chloro-2-(2-phenylethyl)chromen-4-one (CID 42597369) is 8-bromo-6-chloro-2-(2-phenylethyl)chromen-4-one.
What is the SMILES notation for 8-bromo-6-chloro-2-(2-phenylethyl)chromen-4-one?
The canonical SMILES for 8-bromo-6-chloro-2-(2-phenylethyl)chromen-4-one is O=c1cc(CCc2ccccc2)oc2c(Br)cc(Cl)cc12.
What is the InChIKey of 8-bromo-6-chloro-2-(2-phenylethyl)chromen-4-one?
The InChIKey is BSDGZLUCJHPCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrClO2/c18-15-9-12(19)8-14-16(20)10-13(21-17(14)15)7-6-11-4-2-1-3-5-11/h1-5,8-10H,6-7H2.
What are the key properties of 8-bromo-6-chloro-2-(2-phenylethyl)chromen-4-one?
8-bromo-6-chloro-2-(2-phenylethyl)chromen-4-one has a molecular weight of 363.64 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-chloro-2-(2-phenylethyl)chromen-4-one is sourced from PubChem (CID 42597369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).