4-bromo-2-chloro-1-(3-propan-2-ylphenoxy)benzene

C15H14BrClO — CID 162362054

IUPAC4-bromo-2-chloro-1-(3-propan-2-ylphenoxy)benzene
SMILESCC(C)c1cccc(Oc2ccc(Br)cc2Cl)c1
InChIInChI=1S/C15H14BrClO/c1-10(2)11-4-3-5-13(8-11)18-15-7-6-12(16)9-14(15)17/h3-10H,1-2H3
InChIKeyQVRDSHQMZPEAKX-UHFFFAOYSA-N
MW325.63 g/mol
LogP6.02
Rot. Bonds3

About 4-bromo-2-chloro-1-(3-propan-2-ylphenoxy)benzene

4-bromo-2-chloro-1-(3-propan-2-ylphenoxy)benzene (PubChem CID 162362054) has the molecular formula C15H14BrClO and a molecular weight of 325.63 g/mol. Its IUPAC name is 4-bromo-2-chloro-1-(3-propan-2-ylphenoxy)benzene.

Molecular Properties

Compound Name4-bromo-2-chloro-1-(3-propan-2-ylphenoxy)benzene
PubChem CID162362054
Molecular FormulaC15H14BrClO
Molecular Weight325.63 g/mol
Exact Mass323.99
IUPAC Name4-bromo-2-chloro-1-(3-propan-2-ylphenoxy)benzene
SMILESCC(C)c1cccc(Oc2ccc(Br)cc2Cl)c1
InChIInChI=1S/C15H14BrClO/c1-10(2)11-4-3-5-13(8-11)18-15-7-6-12(16)9-14(15)17/h3-10H,1-2H3
InChIKeyQVRDSHQMZPEAKX-UHFFFAOYSA-N
XLogP6.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.63
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-[3-(4-bromo-2-chlorophenoxy)phenyl]ethyl]propan-1-amine
CID 79166444
5-bromo-2-(3-propan-2-ylphenoxy)benzenecarbothioamide
CID 114892189
1,3-bis(2-chloro-4-propan-2-ylphenoxy)-5-propan-2-ylbenzene
CID 59573981
1,3-bis(3-propan-2-ylphenoxy)benzene
CID 90260311
N-[[4-bromo-2-(3-propan-2-ylphenoxy)phenyl]methyl]ethanamine
CID 43282741
1-[3-(4-bromo-2-chlorophenoxy)phenyl]butan-2-amine
CID 63942550
2-[3-(4-bromo-2-chlorophenoxy)phenyl]ethanamine
CID 63942549
4-chloro-2-(chloromethyl)-1-(3-propan-2-ylphenoxy)benzene
CID 114846940
[5-chloro-2-(3-propan-2-ylphenoxy)phenyl]methanamine
CID 63456890
1-[5-bromo-2-(3-chlorophenoxy)phenyl]ethanol
CID 82970527
1-[5-bromo-2-(3-chlorophenoxy)phenyl]ethanamine
CID 82975717
1-[4-(4-bromo-2-chlorophenoxy)phenyl]-N-ethylethanamine
CID 43285711

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-1-(3-propan-2-ylphenoxy)benzene?
The IUPAC name of 4-bromo-2-chloro-1-(3-propan-2-ylphenoxy)benzene (CID 162362054) is 4-bromo-2-chloro-1-(3-propan-2-ylphenoxy)benzene.
What is the SMILES notation for 4-bromo-2-chloro-1-(3-propan-2-ylphenoxy)benzene?
The canonical SMILES for 4-bromo-2-chloro-1-(3-propan-2-ylphenoxy)benzene is CC(C)c1cccc(Oc2ccc(Br)cc2Cl)c1.
What is the InChIKey of 4-bromo-2-chloro-1-(3-propan-2-ylphenoxy)benzene?
The InChIKey is QVRDSHQMZPEAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClO/c1-10(2)11-4-3-5-13(8-11)18-15-7-6-12(16)9-14(15)17/h3-10H,1-2H3.
What are the key properties of 4-bromo-2-chloro-1-(3-propan-2-ylphenoxy)benzene?
4-bromo-2-chloro-1-(3-propan-2-ylphenoxy)benzene has a molecular weight of 325.63 g/mol, XLogP of 6.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-1-(3-propan-2-ylphenoxy)benzene is sourced from PubChem (CID 162362054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).