4-bromo-2-chloro-1-[(3-chlorophenyl)methoxymethyl]benzene

C14H11BrCl2O — CID 113471414

IUPAC4-bromo-2-chloro-1-[(3-chlorophenyl)methoxymethyl]benzene
SMILESClc1cccc(COCc2ccc(Br)cc2Cl)c1
InChIInChI=1S/C14H11BrCl2O/c15-12-5-4-11(14(17)7-12)9-18-8-10-2-1-3-13(16)6-10/h1-7H,8-9H2
InChIKeyMTWKDXCACGCVLU-UHFFFAOYSA-N
MW346.05 g/mol
LogP5.47
Rot. Bonds4

About 4-bromo-2-chloro-1-[(3-chlorophenyl)methoxymethyl]benzene

4-bromo-2-chloro-1-[(3-chlorophenyl)methoxymethyl]benzene (PubChem CID 113471414) has the molecular formula C14H11BrCl2O and a molecular weight of 346.05 g/mol. Its IUPAC name is 4-bromo-2-chloro-1-[(3-chlorophenyl)methoxymethyl]benzene.

Molecular Properties

Compound Name4-bromo-2-chloro-1-[(3-chlorophenyl)methoxymethyl]benzene
PubChem CID113471414
Molecular FormulaC14H11BrCl2O
Molecular Weight346.05 g/mol
Exact Mass343.94
IUPAC Name4-bromo-2-chloro-1-[(3-chlorophenyl)methoxymethyl]benzene
SMILESClc1cccc(COCc2ccc(Br)cc2Cl)c1
InChIInChI=1S/C14H11BrCl2O/c15-12-5-4-11(14(17)7-12)9-18-8-10-2-1-3-13(16)6-10/h1-7H,8-9H2
InChIKeyMTWKDXCACGCVLU-UHFFFAOYSA-N
XLogP5.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.05
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[4-[(3-bromophenyl)methoxymethyl]-3-chlorophenyl]methanamine
CID 102663616
1-[3-bromo-4-[(3-chlorophenyl)methoxymethyl]phenyl]-N-methylmethanamine
CID 102773716
1-bromo-3-[(4-chlorophenyl)methoxymethyl]benzene
CID 65125960
1-chloro-3-[(4-iodophenyl)methoxymethyl]benzene
CID 65490546
2-bromo-4-[(3-chlorophenyl)methoxymethyl]-1-methoxybenzene
CID 65126584
4-bromo-2-[(3-chlorophenyl)methoxy]-1-methylbenzene
CID 107284184
4-bromo-2-[(3-chlorophenyl)methoxy]aniline
CID 65342868
1-bromo-3-[(3-chlorophenyl)methoxymethyl]-2,4-difluorobenzene
CID 114166545
4-[(4-bromophenyl)methoxymethyl]-3-chloro-N'-hydroxybenzenecarboximidamide
CID 102667692
1-[(3-chlorophenyl)methoxymethyl]-2-fluoro-3-nitrobenzene
CID 107348744
[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]methylidenehydrazine
CID 168530433
1-[[4-bromo-2-(chloromethyl)phenoxy]methyl]-2,4-dichlorobenzene
CID 28981500

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-1-[(3-chlorophenyl)methoxymethyl]benzene?
The IUPAC name of 4-bromo-2-chloro-1-[(3-chlorophenyl)methoxymethyl]benzene (CID 113471414) is 4-bromo-2-chloro-1-[(3-chlorophenyl)methoxymethyl]benzene.
What is the SMILES notation for 4-bromo-2-chloro-1-[(3-chlorophenyl)methoxymethyl]benzene?
The canonical SMILES for 4-bromo-2-chloro-1-[(3-chlorophenyl)methoxymethyl]benzene is Clc1cccc(COCc2ccc(Br)cc2Cl)c1.
What is the InChIKey of 4-bromo-2-chloro-1-[(3-chlorophenyl)methoxymethyl]benzene?
The InChIKey is MTWKDXCACGCVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrCl2O/c15-12-5-4-11(14(17)7-12)9-18-8-10-2-1-3-13(16)6-10/h1-7H,8-9H2.
What are the key properties of 4-bromo-2-chloro-1-[(3-chlorophenyl)methoxymethyl]benzene?
4-bromo-2-chloro-1-[(3-chlorophenyl)methoxymethyl]benzene has a molecular weight of 346.05 g/mol, XLogP of 5.47, 4 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-chlorophenyl)methoxymethyl]benzene is sourced from PubChem (CID 113471414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).