1-(bromomethyl)-3,5-dichloro-2-[(4-ethylphenyl)methoxy]benzene

C16H15BrCl2O — CID 63535878

IUPAC1-(bromomethyl)-3,5-dichloro-2-[(4-ethylphenyl)methoxy]benzene
SMILESCCc1ccc(COc2c(Cl)cc(Cl)cc2CBr)cc1
InChIInChI=1S/C16H15BrCl2O/c1-2-11-3-5-12(6-4-11)10-20-16-13(9-17)7-14(18)8-15(16)19/h3-8H,2,9-10H2,1H3
InChIKeyCILDVNRLOQTXEX-UHFFFAOYSA-N
MW374.11 g/mol
LogP6.03
Rot. Bonds5

About 1-(bromomethyl)-3,5-dichloro-2-[(4-ethylphenyl)methoxy]benzene

1-(bromomethyl)-3,5-dichloro-2-[(4-ethylphenyl)methoxy]benzene (PubChem CID 63535878) has the molecular formula C16H15BrCl2O and a molecular weight of 374.11 g/mol. Its IUPAC name is 1-(bromomethyl)-3,5-dichloro-2-[(4-ethylphenyl)methoxy]benzene.

Molecular Properties

Compound Name1-(bromomethyl)-3,5-dichloro-2-[(4-ethylphenyl)methoxy]benzene
PubChem CID63535878
Molecular FormulaC16H15BrCl2O
Molecular Weight374.11 g/mol
Exact Mass371.97
IUPAC Name1-(bromomethyl)-3,5-dichloro-2-[(4-ethylphenyl)methoxy]benzene
SMILESCCc1ccc(COc2c(Cl)cc(Cl)cc2CBr)cc1
InChIInChI=1S/C16H15BrCl2O/c1-2-11-3-5-12(6-4-11)10-20-16-13(9-17)7-14(18)8-15(16)19/h3-8H,2,9-10H2,1H3
InChIKeyCILDVNRLOQTXEX-UHFFFAOYSA-N
XLogP6.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.11
LogP ≤ 56.03
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-[(4-ethylphenyl)methoxy]benzene
CID 112613813
1-(bromomethyl)-3,5-dichloro-2-[(4-nitrophenyl)methoxy]benzene
CID 43516353
1,5-dichloro-2-[[4-[(2,4-dichloro-6-prop-2-enylphenoxy)methyl]phenyl]methoxy]-3-prop-2-enylbenzene
CID 59551589
1-(bromomethyl)-3,5-dichloro-2-[(2,3-dichlorophenyl)methoxy]benzene
CID 107306917
1-[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]propan-2-amine
CID 63421756
N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 35697855
[3,5-dichloro-2-[(4-methoxyphenyl)methoxy]phenyl]methanol
CID 43516151
N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine
CID 17156494
N-[[2-[(4-bromophenyl)methoxy]-3,5-dichlorophenyl]methyl]-2-ethylaniline
CID 126117021
1-(bromomethyl)-3,5-dichloro-2-(2-phenylethoxy)benzene
CID 43516371
N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]propan-1-amine
CID 35697832
1-(3,5-dichloro-2-phenylmethoxyphenyl)propan-2-amine
CID 60907532

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-3,5-dichloro-2-[(4-ethylphenyl)methoxy]benzene?
The IUPAC name of 1-(bromomethyl)-3,5-dichloro-2-[(4-ethylphenyl)methoxy]benzene (CID 63535878) is 1-(bromomethyl)-3,5-dichloro-2-[(4-ethylphenyl)methoxy]benzene.
What is the SMILES notation for 1-(bromomethyl)-3,5-dichloro-2-[(4-ethylphenyl)methoxy]benzene?
The canonical SMILES for 1-(bromomethyl)-3,5-dichloro-2-[(4-ethylphenyl)methoxy]benzene is CCc1ccc(COc2c(Cl)cc(Cl)cc2CBr)cc1.
What is the InChIKey of 1-(bromomethyl)-3,5-dichloro-2-[(4-ethylphenyl)methoxy]benzene?
The InChIKey is CILDVNRLOQTXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrCl2O/c1-2-11-3-5-12(6-4-11)10-20-16-13(9-17)7-14(18)8-15(16)19/h3-8H,2,9-10H2,1H3.
What are the key properties of 1-(bromomethyl)-3,5-dichloro-2-[(4-ethylphenyl)methoxy]benzene?
1-(bromomethyl)-3,5-dichloro-2-[(4-ethylphenyl)methoxy]benzene has a molecular weight of 374.11 g/mol, XLogP of 6.03, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-3,5-dichloro-2-[(4-ethylphenyl)methoxy]benzene is sourced from PubChem (CID 63535878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).