1-bromo-2-[[3-(chloromethyl)phenoxy]methyl]benzene

C14H12BrClO — CID 28543153

IUPAC1-bromo-2-[[3-(chloromethyl)phenoxy]methyl]benzene
SMILESClCc1cccc(OCc2ccccc2Br)c1
InChIInChI=1S/C14H12BrClO/c15-14-7-2-1-5-12(14)10-17-13-6-3-4-11(8-13)9-16/h1-8H,9-10H2
InChIKeyGSLRFBVVEBFVPO-UHFFFAOYSA-N
MW311.61 g/mol
LogP4.77
Rot. Bonds4

About 1-bromo-2-[[3-(chloromethyl)phenoxy]methyl]benzene

1-bromo-2-[[3-(chloromethyl)phenoxy]methyl]benzene (PubChem CID 28543153) has the molecular formula C14H12BrClO and a molecular weight of 311.61 g/mol. Its IUPAC name is 1-bromo-2-[[3-(chloromethyl)phenoxy]methyl]benzene.

Molecular Properties

Compound Name1-bromo-2-[[3-(chloromethyl)phenoxy]methyl]benzene
PubChem CID28543153
Molecular FormulaC14H12BrClO
Molecular Weight311.61 g/mol
Exact Mass309.98
IUPAC Name1-bromo-2-[[3-(chloromethyl)phenoxy]methyl]benzene
SMILESClCc1cccc(OCc2ccccc2Br)c1
InChIInChI=1S/C14H12BrClO/c15-14-7-2-1-5-12(14)10-17-13-6-3-4-11(8-13)9-16/h1-8H,9-10H2
InChIKeyGSLRFBVVEBFVPO-UHFFFAOYSA-N
XLogP4.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.61
LogP ≤ 54.77
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-chloro-2-[[3-(chloromethyl)phenoxy]methyl]benzene
CID 29299545
1-(chloromethyl)-3-phenylmethoxybenzene
CID 13173490
1-[[3-(chloromethyl)phenoxy]methyl]-2,3-difluorobenzene
CID 43658993
1-chloro-3-[[3-(chloromethyl)phenoxy]methyl]-2-fluorobenzene
CID 102856363
4-bromo-1-[[3-(chloromethyl)phenoxy]methyl]-2-fluorobenzene
CID 43438767
2-chloro-1-[[3-(chloromethyl)phenoxy]methyl]-3-fluorobenzene
CID 112652526
N-[[3-[(2-bromophenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 63486878
1-[(2-bromophenyl)methoxy]-4-(chloromethyl)-2-ethoxybenzene
CID 28555321
1-bromo-3-[2-[3-(chloromethyl)phenoxy]ethoxy]benzene
CID 55224568
2-[[3-(chloromethyl)phenoxy]methyl]pyridine
CID 28534890
4-bromo-1-[[3-(chloromethyl)phenoxy]methyl]-2-nitrobenzene
CID 114381870
3-bromo-5-[[3-(chloromethyl)phenoxy]methyl]pyridine
CID 104798995

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[[3-(chloromethyl)phenoxy]methyl]benzene?
The IUPAC name of 1-bromo-2-[[3-(chloromethyl)phenoxy]methyl]benzene (CID 28543153) is 1-bromo-2-[[3-(chloromethyl)phenoxy]methyl]benzene.
What is the SMILES notation for 1-bromo-2-[[3-(chloromethyl)phenoxy]methyl]benzene?
The canonical SMILES for 1-bromo-2-[[3-(chloromethyl)phenoxy]methyl]benzene is ClCc1cccc(OCc2ccccc2Br)c1.
What is the InChIKey of 1-bromo-2-[[3-(chloromethyl)phenoxy]methyl]benzene?
The InChIKey is GSLRFBVVEBFVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClO/c15-14-7-2-1-5-12(14)10-17-13-6-3-4-11(8-13)9-16/h1-8H,9-10H2.
What are the key properties of 1-bromo-2-[[3-(chloromethyl)phenoxy]methyl]benzene?
1-bromo-2-[[3-(chloromethyl)phenoxy]methyl]benzene has a molecular weight of 311.61 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[[3-(chloromethyl)phenoxy]methyl]benzene is sourced from PubChem (CID 28543153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).