1,3-bis[2-(chloromethyl)phenoxy]benzene

C20H16Cl2O2 — CID 19038526

IUPAC1,3-bis[2-(chloromethyl)phenoxy]benzene
SMILESClCc1ccccc1Oc1cccc(Oc2ccccc2CCl)c1
InChIInChI=1S/C20H16Cl2O2/c21-13-15-6-1-3-10-19(15)23-17-8-5-9-18(12-17)24-20-11-4-2-7-16(20)14-22/h1-12H,13-14H2
InChIKeyOFUZHELBCHKWPI-UHFFFAOYSA-N
MW359.25 g/mol
LogP6.75
Rot. Bonds6

About 1,3-bis[2-(chloromethyl)phenoxy]benzene

1,3-bis[2-(chloromethyl)phenoxy]benzene (PubChem CID 19038526) has the molecular formula C20H16Cl2O2 and a molecular weight of 359.25 g/mol. Its IUPAC name is 1,3-bis[2-(chloromethyl)phenoxy]benzene.

Molecular Properties

Compound Name1,3-bis[2-(chloromethyl)phenoxy]benzene
PubChem CID19038526
Molecular FormulaC20H16Cl2O2
Molecular Weight359.25 g/mol
Exact Mass358.05
IUPAC Name1,3-bis[2-(chloromethyl)phenoxy]benzene
SMILESClCc1ccccc1Oc1cccc(Oc2ccccc2CCl)c1
InChIInChI=1S/C20H16Cl2O2/c21-13-15-6-1-3-10-19(15)23-17-8-5-9-18(12-17)24-20-11-4-2-7-16(20)14-22/h1-12H,13-14H2
InChIKeyOFUZHELBCHKWPI-UHFFFAOYSA-N
XLogP6.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.25
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1,3-bis[2-(chloromethyl)phenoxy]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-chloro-4-[2-(chloromethyl)phenoxy]benzene;ethane
CID 143444717
1-(chloromethyl)-2-fluoro-3-phenoxybenzene
CID 141096763
1-(chloromethyl)-2-(4-propoxyphenoxy)benzene
CID 28971293
[2-[3-(aminomethyl)phenoxy]phenyl]methanol
CID 63942730
4-chloro-2-(chloromethyl)-1-(3-propan-2-ylphenoxy)benzene
CID 114846940
4-bromo-1-(chloromethyl)-2-(3-chlorophenoxy)benzene
CID 43365197
[2-[3-(trifluoromethyl)phenoxy]phenyl]methanol
CID 3700252
2-bromo-1-[2-(chloromethyl)phenoxy]-4-methoxybenzene
CID 104708026
[2-(3-bromophenoxy)phenyl]methanamine
CID 28966197
1-(chloromethyl)-3-(2-methylphenoxy)benzene
CID 112594476
2-[2-(3-ethoxyphenoxy)phenyl]ethanamine
CID 63804354
2-bromo-4-chloro-1-[2-(chloromethyl)phenoxy]benzene
CID 28947283

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[2-(chloromethyl)phenoxy]benzene?
The IUPAC name of 1,3-bis[2-(chloromethyl)phenoxy]benzene (CID 19038526) is 1,3-bis[2-(chloromethyl)phenoxy]benzene.
What is the SMILES notation for 1,3-bis[2-(chloromethyl)phenoxy]benzene?
The canonical SMILES for 1,3-bis[2-(chloromethyl)phenoxy]benzene is ClCc1ccccc1Oc1cccc(Oc2ccccc2CCl)c1.
What is the InChIKey of 1,3-bis[2-(chloromethyl)phenoxy]benzene?
The InChIKey is OFUZHELBCHKWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2O2/c21-13-15-6-1-3-10-19(15)23-17-8-5-9-18(12-17)24-20-11-4-2-7-16(20)14-22/h1-12H,13-14H2.
What are the key properties of 1,3-bis[2-(chloromethyl)phenoxy]benzene?
1,3-bis[2-(chloromethyl)phenoxy]benzene has a molecular weight of 359.25 g/mol, XLogP of 6.75, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[2-(chloromethyl)phenoxy]benzene is sourced from PubChem (CID 19038526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).