1,4-bis[(2-chlorophenyl)methoxy]benzene

C20H16Cl2O2 — CID 18515510

IUPAC1,4-bis[(2-chlorophenyl)methoxy]benzene
SMILESClc1ccccc1COc1ccc(OCc2ccccc2Cl)cc1
InChIInChI=1S/C20H16Cl2O2/c21-19-7-3-1-5-15(19)13-23-17-9-11-18(12-10-17)24-14-16-6-2-4-8-20(16)22/h1-12H,13-14H2
InChIKeyRUMZAQCEAFKRBP-UHFFFAOYSA-N
MW359.25 g/mol
LogP6.15
Rot. Bonds6

About 1,4-bis[(2-chlorophenyl)methoxy]benzene

1,4-bis[(2-chlorophenyl)methoxy]benzene (PubChem CID 18515510) has the molecular formula C20H16Cl2O2 and a molecular weight of 359.25 g/mol. Its IUPAC name is 1,4-bis[(2-chlorophenyl)methoxy]benzene.

Molecular Properties

Compound Name1,4-bis[(2-chlorophenyl)methoxy]benzene
PubChem CID18515510
Molecular FormulaC20H16Cl2O2
Molecular Weight359.25 g/mol
Exact Mass358.05
IUPAC Name1,4-bis[(2-chlorophenyl)methoxy]benzene
SMILESClc1ccccc1COc1ccc(OCc2ccccc2Cl)cc1
InChIInChI=1S/C20H16Cl2O2/c21-19-7-3-1-5-15(19)13-23-17-9-11-18(12-10-17)24-14-16-6-2-4-8-20(16)22/h1-12H,13-14H2
InChIKeyRUMZAQCEAFKRBP-UHFFFAOYSA-N
XLogP6.15
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 ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,4-tris[(2-chlorophenyl)methoxy]benzene
CID 139941968
1-[4-[(2-chlorophenyl)methoxy]phenyl]ethanamine
CID 43189009
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine
CID 4721378
[4-[(2-chlorophenyl)methoxy]phenyl]methyl-ethylazanium
CID 7986318
2-chloro-N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]aniline
CID 126186662
2,5-bis[(2-chlorophenyl)methoxy]phenol
CID 139941911
[4-[(2-chlorophenyl)methoxy]phenyl]methanamine;oxalic acid
CID 122170235
2-chloro-5-[(2-chlorophenyl)methoxy]-1,3-dimethylbenzene
CID 19168424
(R)-[4-[(2-chlorophenyl)methoxy]phenyl]-cyclopropylmethanamine
CID 165351367
1-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-phenylhydrazine
CID 169385676
1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-ethylethanamine
CID 43285011
3-[(2-chlorophenyl)methoxy]aniline
CID 23010255

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[(2-chlorophenyl)methoxy]benzene?
The IUPAC name of 1,4-bis[(2-chlorophenyl)methoxy]benzene (CID 18515510) is 1,4-bis[(2-chlorophenyl)methoxy]benzene.
What is the SMILES notation for 1,4-bis[(2-chlorophenyl)methoxy]benzene?
The canonical SMILES for 1,4-bis[(2-chlorophenyl)methoxy]benzene is Clc1ccccc1COc1ccc(OCc2ccccc2Cl)cc1.
What is the InChIKey of 1,4-bis[(2-chlorophenyl)methoxy]benzene?
The InChIKey is RUMZAQCEAFKRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2O2/c21-19-7-3-1-5-15(19)13-23-17-9-11-18(12-10-17)24-14-16-6-2-4-8-20(16)22/h1-12H,13-14H2.
What are the key properties of 1,4-bis[(2-chlorophenyl)methoxy]benzene?
1,4-bis[(2-chlorophenyl)methoxy]benzene has a molecular weight of 359.25 g/mol, XLogP of 6.15, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[(2-chlorophenyl)methoxy]benzene is sourced from PubChem (CID 18515510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).