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

C27H21Cl3O3 — CID 139941968

IUPAC1,2,4-tris[(2-chlorophenyl)methoxy]benzene
SMILESClc1ccccc1COc1ccc(OCc2ccccc2Cl)c(OCc2ccccc2Cl)c1
InChIInChI=1S/C27H21Cl3O3/c28-23-10-4-1-7-19(23)16-31-22-13-14-26(32-17-20-8-2-5-11-24(20)29)27(15-22)33-18-21-9-3-6-12-25(21)30/h1-15H,16-18H2
InChIKeyBDARLHUPFMRRSY-UHFFFAOYSA-N
MW499.82 g/mol
LogP8.38
Rot. Bonds9

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

1,2,4-tris[(2-chlorophenyl)methoxy]benzene (PubChem CID 139941968) has the molecular formula C27H21Cl3O3 and a molecular weight of 499.82 g/mol. Its IUPAC name is 1,2,4-tris[(2-chlorophenyl)methoxy]benzene.

Molecular Properties

Compound Name1,2,4-tris[(2-chlorophenyl)methoxy]benzene
PubChem CID139941968
Molecular FormulaC27H21Cl3O3
Molecular Weight499.82 g/mol
Exact Mass498.06
IUPAC Name1,2,4-tris[(2-chlorophenyl)methoxy]benzene
SMILESClc1ccccc1COc1ccc(OCc2ccccc2Cl)c(OCc2ccccc2Cl)c1
InChIInChI=1S/C27H21Cl3O3/c28-23-10-4-1-7-19(23)16-31-22-13-14-26(32-17-20-8-2-5-11-24(20)29)27(15-22)33-18-21-9-3-6-12-25(21)30/h1-15H,16-18H2
InChIKeyBDARLHUPFMRRSY-UHFFFAOYSA-N
XLogP8.38
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.82
LogP ≤ 58.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-bis[(2-chlorophenyl)methoxy]phenol
CID 139941911
1,4-bis[(2-chlorophenyl)methoxy]benzene
CID 18515510
4-[(2-chlorophenyl)methoxy]-2-ethoxyaniline
CID 63676329
2-(chloromethyl)-1-[(2-chlorophenyl)methoxy]-4-methoxybenzene
CID 43268073
3-[(2-chlorophenyl)methoxy]aniline
CID 23010255
[2-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methanol
CID 43267981
1-chloro-2-[[3-(chloromethyl)phenoxy]methyl]benzene
CID 29299545
[4-[(2-chlorophenyl)methoxy]phenyl]methyl-ethylazanium
CID 7986318
2-chloro-5-[(2-chlorophenyl)methoxy]-1,3-dimethylbenzene
CID 19168424
4-[(2-chlorophenyl)methoxy]-3-ethoxybenzoic acid
CID 4769645
4-[(2-chlorophenyl)methoxy]-3-ethoxybenzoyl chloride
CID 46779765
1-[2-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]-N-methylmethanamine
CID 60880037

Frequently Asked Questions

What is the IUPAC name of 1,2,4-tris[(2-chlorophenyl)methoxy]benzene?
The IUPAC name of 1,2,4-tris[(2-chlorophenyl)methoxy]benzene (CID 139941968) is 1,2,4-tris[(2-chlorophenyl)methoxy]benzene.
What is the SMILES notation for 1,2,4-tris[(2-chlorophenyl)methoxy]benzene?
The canonical SMILES for 1,2,4-tris[(2-chlorophenyl)methoxy]benzene is Clc1ccccc1COc1ccc(OCc2ccccc2Cl)c(OCc2ccccc2Cl)c1.
What is the InChIKey of 1,2,4-tris[(2-chlorophenyl)methoxy]benzene?
The InChIKey is BDARLHUPFMRRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21Cl3O3/c28-23-10-4-1-7-19(23)16-31-22-13-14-26(32-17-20-8-2-5-11-24(20)29)27(15-22)33-18-21-9-3-6-12-25(21)30/h1-15H,16-18H2.
What are the key properties of 1,2,4-tris[(2-chlorophenyl)methoxy]benzene?
1,2,4-tris[(2-chlorophenyl)methoxy]benzene has a molecular weight of 499.82 g/mol, XLogP of 8.38, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-tris[(2-chlorophenyl)methoxy]benzene is sourced from PubChem (CID 139941968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).