4-bromo-1-(chloromethyl)-2-(2-ethylphenoxy)benzene

C15H14BrClO — CID 43365212

IUPAC4-bromo-1-(chloromethyl)-2-(2-ethylphenoxy)benzene
SMILESCCc1ccccc1Oc1cc(Br)ccc1CCl
InChIInChI=1S/C15H14BrClO/c1-2-11-5-3-4-6-14(11)18-15-9-13(16)8-7-12(15)10-17/h3-9H,2,10H2,1H3
InChIKeyAPCAWXAVJKMUGP-UHFFFAOYSA-N
MW325.63 g/mol
LogP5.54
Rot. Bonds4

About 4-bromo-1-(chloromethyl)-2-(2-ethylphenoxy)benzene

4-bromo-1-(chloromethyl)-2-(2-ethylphenoxy)benzene (PubChem CID 43365212) has the molecular formula C15H14BrClO and a molecular weight of 325.63 g/mol. Its IUPAC name is 4-bromo-1-(chloromethyl)-2-(2-ethylphenoxy)benzene.

Molecular Properties

Compound Name4-bromo-1-(chloromethyl)-2-(2-ethylphenoxy)benzene
PubChem CID43365212
Molecular FormulaC15H14BrClO
Molecular Weight325.63 g/mol
Exact Mass323.99
IUPAC Name4-bromo-1-(chloromethyl)-2-(2-ethylphenoxy)benzene
SMILESCCc1ccccc1Oc1cc(Br)ccc1CCl
InChIInChI=1S/C15H14BrClO/c1-2-11-5-3-4-6-14(11)18-15-9-13(16)8-7-12(15)10-17/h3-9H,2,10H2,1H3
InChIKeyAPCAWXAVJKMUGP-UHFFFAOYSA-N
XLogP5.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.63
LogP ≤ 55.54
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-bromo-2-(2-butan-2-ylphenoxy)-1-(chloromethyl)benzene
CID 63566959
4-bromo-2-(chloromethyl)-1-(2-ethoxyphenoxy)benzene
CID 114061651
[2-[2-(aminomethyl)-5-bromophenoxy]phenyl]methanol
CID 63654318
1-bromo-4-chloro-2-(2-ethylphenoxy)benzene
CID 90971991
4-bromo-1-(chloromethyl)-2-(4-chlorophenoxy)benzene
CID 43174130
2-bromo-1-[2-(chloromethyl)phenoxy]-4-methoxybenzene
CID 104708026
4-bromo-1-(chloromethyl)-2-(3-chlorophenoxy)benzene
CID 43365197
1-[5-bromo-2-(chloromethyl)phenoxy]-4-fluoro-2-nitrobenzene
CID 63568399
2-bromo-4-chloro-1-[2-(chloromethyl)phenoxy]benzene
CID 28947283
4-(chloromethyl)-1-(2-ethylphenoxy)-2-fluorobenzene
CID 43173845
1-bromo-2-[5-bromo-2-(chloromethyl)phenoxy]-4-nitrobenzene
CID 103010930
(4-bromo-2-naphthalen-1-yloxyphenyl)methanol
CID 43174100

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(chloromethyl)-2-(2-ethylphenoxy)benzene?
The IUPAC name of 4-bromo-1-(chloromethyl)-2-(2-ethylphenoxy)benzene (CID 43365212) is 4-bromo-1-(chloromethyl)-2-(2-ethylphenoxy)benzene.
What is the SMILES notation for 4-bromo-1-(chloromethyl)-2-(2-ethylphenoxy)benzene?
The canonical SMILES for 4-bromo-1-(chloromethyl)-2-(2-ethylphenoxy)benzene is CCc1ccccc1Oc1cc(Br)ccc1CCl.
What is the InChIKey of 4-bromo-1-(chloromethyl)-2-(2-ethylphenoxy)benzene?
The InChIKey is APCAWXAVJKMUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClO/c1-2-11-5-3-4-6-14(11)18-15-9-13(16)8-7-12(15)10-17/h3-9H,2,10H2,1H3.
What are the key properties of 4-bromo-1-(chloromethyl)-2-(2-ethylphenoxy)benzene?
4-bromo-1-(chloromethyl)-2-(2-ethylphenoxy)benzene has a molecular weight of 325.63 g/mol, XLogP of 5.54, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(chloromethyl)-2-(2-ethylphenoxy)benzene is sourced from PubChem (CID 43365212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).