4-(bromomethyl)-2-chloro-1-(4-propan-2-ylphenoxy)benzene

C16H16BrClO — CID 107086695

IUPAC4-(bromomethyl)-2-chloro-1-(4-propan-2-ylphenoxy)benzene
SMILESCC(C)c1ccc(Oc2ccc(CBr)cc2Cl)cc1
InChIInChI=1S/C16H16BrClO/c1-11(2)13-4-6-14(7-5-13)19-16-8-3-12(10-17)9-15(16)18/h3-9,11H,10H2,1-2H3
InChIKeyYFXGSPMFAWIJHK-UHFFFAOYSA-N
MW339.66 g/mol
LogP6.15
Rot. Bonds4

About 4-(bromomethyl)-2-chloro-1-(4-propan-2-ylphenoxy)benzene

4-(bromomethyl)-2-chloro-1-(4-propan-2-ylphenoxy)benzene (PubChem CID 107086695) has the molecular formula C16H16BrClO and a molecular weight of 339.66 g/mol. Its IUPAC name is 4-(bromomethyl)-2-chloro-1-(4-propan-2-ylphenoxy)benzene.

Molecular Properties

Compound Name4-(bromomethyl)-2-chloro-1-(4-propan-2-ylphenoxy)benzene
PubChem CID107086695
Molecular FormulaC16H16BrClO
Molecular Weight339.66 g/mol
Exact Mass338.01
IUPAC Name4-(bromomethyl)-2-chloro-1-(4-propan-2-ylphenoxy)benzene
SMILESCC(C)c1ccc(Oc2ccc(CBr)cc2Cl)cc1
InChIInChI=1S/C16H16BrClO/c1-11(2)13-4-6-14(7-5-13)19-16-8-3-12(10-17)9-15(16)18/h3-9,11H,10H2,1-2H3
InChIKeyYFXGSPMFAWIJHK-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

4-(bromomethyl)-1-(4-tert-butylphenoxy)-2-chlorobenzene
CID 107086858
N-[[3-chloro-4-(4-propan-2-ylphenoxy)phenyl]methyl]ethanamine
CID 81145340
4-(bromomethyl)-2-chloro-1-(4-chloro-3-methylphenoxy)benzene
CID 107086354
4-(bromomethyl)-2-nitro-1-(4-propan-2-ylphenoxy)benzene
CID 107086703
3-chloro-4-(4-propan-2-ylphenoxy)aniline
CID 26189720
1-[4-(bromomethyl)phenoxy]-2-chloro-4-fluorobenzene
CID 107087882
(1R)-1-[3-chloro-4-[4-(hydroxymethyl)phenoxy]phenyl]ethanol
CID 63374564
1-bromo-4-[4-(bromomethyl)-2-chlorophenoxy]-2-fluorobenzene
CID 107088717
1,3-bis(2-chloro-4-propan-2-ylphenoxy)-5-propan-2-ylbenzene
CID 59573981
4-(2-chloro-4-ethylphenoxy)aniline
CID 22413866
1-[3-chloro-4-(4-propan-2-ylphenoxy)phenyl]ethanone
CID 63533562
4-[4-[2-[4-(4-aminophenoxy)-3-chlorophenyl]ethyl]-2-chlorophenoxy]aniline
CID 57316904

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-2-chloro-1-(4-propan-2-ylphenoxy)benzene?
The IUPAC name of 4-(bromomethyl)-2-chloro-1-(4-propan-2-ylphenoxy)benzene (CID 107086695) is 4-(bromomethyl)-2-chloro-1-(4-propan-2-ylphenoxy)benzene.
What is the SMILES notation for 4-(bromomethyl)-2-chloro-1-(4-propan-2-ylphenoxy)benzene?
The canonical SMILES for 4-(bromomethyl)-2-chloro-1-(4-propan-2-ylphenoxy)benzene is CC(C)c1ccc(Oc2ccc(CBr)cc2Cl)cc1.
What is the InChIKey of 4-(bromomethyl)-2-chloro-1-(4-propan-2-ylphenoxy)benzene?
The InChIKey is YFXGSPMFAWIJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClO/c1-11(2)13-4-6-14(7-5-13)19-16-8-3-12(10-17)9-15(16)18/h3-9,11H,10H2,1-2H3.
What are the key properties of 4-(bromomethyl)-2-chloro-1-(4-propan-2-ylphenoxy)benzene?
4-(bromomethyl)-2-chloro-1-(4-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 4-(bromomethyl)-2-chloro-1-(4-propan-2-ylphenoxy)benzene is sourced from PubChem (CID 107086695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).