1-(bromomethyl)-3-chloro-2-(2-propan-2-ylphenoxy)benzene

C16H16BrClO — CID 114067986

IUPAC1-(bromomethyl)-3-chloro-2-(2-propan-2-ylphenoxy)benzene
SMILESCC(C)c1ccccc1Oc1c(Cl)cccc1CBr
InChIInChI=1S/C16H16BrClO/c1-11(2)13-7-3-4-9-15(13)19-16-12(10-17)6-5-8-14(16)18/h3-9,11H,10H2,1-2H3
InChIKeyGUSZLVFKRHDSRC-UHFFFAOYSA-N
MW339.66 g/mol
LogP6.15
Rot. Bonds4

About 1-(bromomethyl)-3-chloro-2-(2-propan-2-ylphenoxy)benzene

1-(bromomethyl)-3-chloro-2-(2-propan-2-ylphenoxy)benzene (PubChem CID 114067986) has the molecular formula C16H16BrClO and a molecular weight of 339.66 g/mol. Its IUPAC name is 1-(bromomethyl)-3-chloro-2-(2-propan-2-ylphenoxy)benzene.

Molecular Properties

Compound Name1-(bromomethyl)-3-chloro-2-(2-propan-2-ylphenoxy)benzene
PubChem CID114067986
Molecular FormulaC16H16BrClO
Molecular Weight339.66 g/mol
Exact Mass338.01
IUPAC Name1-(bromomethyl)-3-chloro-2-(2-propan-2-ylphenoxy)benzene
SMILESCC(C)c1ccccc1Oc1c(Cl)cccc1CBr
InChIInChI=1S/C16H16BrClO/c1-11(2)13-7-3-4-9-15(13)19-16-12(10-17)6-5-8-14(16)18/h3-9,11H,10H2,1-2H3
InChIKeyGUSZLVFKRHDSRC-UHFFFAOYSA-N
XLogP6.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.66
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(bromomethyl)-3-chloro-2-(2-chloro-4-fluorophenoxy)benzene
CID 114068008
5-(bromomethyl)-1,3-difluoro-2-(2-propan-2-ylphenoxy)benzene
CID 107087316
1-(bromomethyl)-2-[2-(bromomethyl)phenoxy]benzene;ethane
CID 91089449
2-(2-butan-2-ylphenoxy)-3-chloroaniline
CID 43101029
CID 174063143
CID 174063143
4-[2-(bromomethyl)-6-chlorophenoxy]-1-propan-2-ylpyrazole
CID 114068060
N-[(2-chlorophenyl)methyl]-2-(2-propan-2-ylphenoxy)ethanamine
CID 39431642
(1R)-1-[2-(2,3-dichlorophenoxy)phenyl]propan-1-ol
CID 103960427
ethane;1-methoxy-2-propan-2-ylbenzene
CID 144548142
ethane;1-methoxy-2-propan-2-ylbenzene
CID 142030907
1-[4-chloro-2-(2-propan-2-ylphenoxy)phenyl]propan-2-amine
CID 114862989
1-(bromomethyl)-3-fluoro-2-(2-methylsulfanylphenoxy)benzene
CID 114068030

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-3-chloro-2-(2-propan-2-ylphenoxy)benzene?
The IUPAC name of 1-(bromomethyl)-3-chloro-2-(2-propan-2-ylphenoxy)benzene (CID 114067986) is 1-(bromomethyl)-3-chloro-2-(2-propan-2-ylphenoxy)benzene.
What is the SMILES notation for 1-(bromomethyl)-3-chloro-2-(2-propan-2-ylphenoxy)benzene?
The canonical SMILES for 1-(bromomethyl)-3-chloro-2-(2-propan-2-ylphenoxy)benzene is CC(C)c1ccccc1Oc1c(Cl)cccc1CBr.
What is the InChIKey of 1-(bromomethyl)-3-chloro-2-(2-propan-2-ylphenoxy)benzene?
The InChIKey is GUSZLVFKRHDSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClO/c1-11(2)13-7-3-4-9-15(13)19-16-12(10-17)6-5-8-14(16)18/h3-9,11H,10H2,1-2H3.
What are the key properties of 1-(bromomethyl)-3-chloro-2-(2-propan-2-ylphenoxy)benzene?
1-(bromomethyl)-3-chloro-2-(2-propan-2-ylphenoxy)benzene has a molecular weight of 339.66 g/mol, XLogP of 6.15, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-3-chloro-2-(2-propan-2-ylphenoxy)benzene is sourced from PubChem (CID 114067986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).