1-[[4-[[3,5-bis(chloromethyl)phenoxy]methyl]phenyl]methoxy]-3,5-bis(chloromethyl)benzene

C24H22Cl4O2 — CID 15131184

IUPAC1-[[4-[[3,5-bis(chloromethyl)phenoxy]methyl]phenyl]methoxy]-3,5-bis(chloromethyl)benzene
SMILESClCc1cc(CCl)cc(OCc2ccc(COc3cc(CCl)cc(CCl)c3)cc2)c1
InChIInChI=1S/C24H22Cl4O2/c25-11-19-5-20(12-26)8-23(7-19)29-15-17-1-2-18(4-3-17)16-30-24-9-21(13-27)6-22(10-24)14-28/h1-10H,11-16H2
InChIKeyIOEQYSKUCYEVTJ-UHFFFAOYSA-N
MW484.25 g/mol
LogP7.80
Rot. Bonds10

About 1-[[4-[[3,5-bis(chloromethyl)phenoxy]methyl]phenyl]methoxy]-3,5-bis(chloromethyl)benzene

1-[[4-[[3,5-bis(chloromethyl)phenoxy]methyl]phenyl]methoxy]-3,5-bis(chloromethyl)benzene (PubChem CID 15131184) has the molecular formula C24H22Cl4O2 and a molecular weight of 484.25 g/mol. Its IUPAC name is 1-[[4-[[3,5-bis(chloromethyl)phenoxy]methyl]phenyl]methoxy]-3,5-bis(chloromethyl)benzene.

Molecular Properties

Compound Name1-[[4-[[3,5-bis(chloromethyl)phenoxy]methyl]phenyl]methoxy]-3,5-bis(chloromethyl)benzene
PubChem CID15131184
Molecular FormulaC24H22Cl4O2
Molecular Weight484.25 g/mol
Exact Mass482.04
IUPAC Name1-[[4-[[3,5-bis(chloromethyl)phenoxy]methyl]phenyl]methoxy]-3,5-bis(chloromethyl)benzene
SMILESClCc1cc(CCl)cc(OCc2ccc(COc3cc(CCl)cc(CCl)c3)cc2)c1
InChIInChI=1S/C24H22Cl4O2/c25-11-19-5-20(12-26)8-23(7-19)29-15-17-1-2-18(4-3-17)16-30-24-9-21(13-27)6-22(10-24)14-28/h1-10H,11-16H2
InChIKeyIOEQYSKUCYEVTJ-UHFFFAOYSA-N
XLogP7.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.25
LogP ≤ 57.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,4-bis[[4-(chloromethyl)phenoxy]methyl]benzene
CID 10340152
1-(chloromethyl)-3-phenylmethoxybenzene
CID 13173490
1-(chloromethyl)-4-[(4-fluorophenyl)methoxy]benzene
CID 22280023
1,3-bis[[3,5-bis[(3,5-dichlorophenoxy)methyl]phenoxy]methyl]-5-phenylmethoxybenzene
CID 132525104
1,2-dichloro-4-[[4-(chloromethyl)phenoxy]methyl]benzene
CID 22280207
1-tert-butyl-4-[[4-(chloromethyl)phenoxy]methyl]benzene
CID 22280079
1-butoxy-3,5-bis(chloromethyl)benzene
CID 89058586
5-(chloromethyl)-1,3-difluoro-2-[(4-fluorophenyl)methoxy]benzene
CID 79888109
4-[[2,6-dibromo-4-(chloromethyl)phenoxy]methyl]phenol
CID 107745437
4-[[3-(chloromethyl)phenoxy]methyl]-1,2-difluorobenzene
CID 82918632
1,3-dibromo-5-(chloromethyl)-2-[(4-fluorophenyl)methoxy]benzene
CID 107745218
[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methanol
CID 15385707

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[[3,5-bis(chloromethyl)phenoxy]methyl]phenyl]methoxy]-3,5-bis(chloromethyl)benzene?
The IUPAC name of 1-[[4-[[3,5-bis(chloromethyl)phenoxy]methyl]phenyl]methoxy]-3,5-bis(chloromethyl)benzene (CID 15131184) is 1-[[4-[[3,5-bis(chloromethyl)phenoxy]methyl]phenyl]methoxy]-3,5-bis(chloromethyl)benzene.
What is the SMILES notation for 1-[[4-[[3,5-bis(chloromethyl)phenoxy]methyl]phenyl]methoxy]-3,5-bis(chloromethyl)benzene?
The canonical SMILES for 1-[[4-[[3,5-bis(chloromethyl)phenoxy]methyl]phenyl]methoxy]-3,5-bis(chloromethyl)benzene is ClCc1cc(CCl)cc(OCc2ccc(COc3cc(CCl)cc(CCl)c3)cc2)c1.
What is the InChIKey of 1-[[4-[[3,5-bis(chloromethyl)phenoxy]methyl]phenyl]methoxy]-3,5-bis(chloromethyl)benzene?
The InChIKey is IOEQYSKUCYEVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl4O2/c25-11-19-5-20(12-26)8-23(7-19)29-15-17-1-2-18(4-3-17)16-30-24-9-21(13-27)6-22(10-24)14-28/h1-10H,11-16H2.
What are the key properties of 1-[[4-[[3,5-bis(chloromethyl)phenoxy]methyl]phenyl]methoxy]-3,5-bis(chloromethyl)benzene?
1-[[4-[[3,5-bis(chloromethyl)phenoxy]methyl]phenyl]methoxy]-3,5-bis(chloromethyl)benzene has a molecular weight of 484.25 g/mol, XLogP of 7.80, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[[3,5-bis(chloromethyl)phenoxy]methyl]phenyl]methoxy]-3,5-bis(chloromethyl)benzene is sourced from PubChem (CID 15131184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).