1,2-dichloro-4-[[4-(chloromethyl)phenoxy]methyl]benzene

C14H11Cl3O — CID 22280207

IUPAC1,2-dichloro-4-[[4-(chloromethyl)phenoxy]methyl]benzene
SMILESClCc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C14H11Cl3O/c15-8-10-1-4-12(5-2-10)18-9-11-3-6-13(16)14(17)7-11/h1-7H,8-9H2
InChIKeyHHFJHICTIHHPLD-UHFFFAOYSA-N
MW301.60 g/mol
LogP5.31
Rot. Bonds4

About 1,2-dichloro-4-[[4-(chloromethyl)phenoxy]methyl]benzene

1,2-dichloro-4-[[4-(chloromethyl)phenoxy]methyl]benzene (PubChem CID 22280207) has the molecular formula C14H11Cl3O and a molecular weight of 301.60 g/mol. Its IUPAC name is 1,2-dichloro-4-[[4-(chloromethyl)phenoxy]methyl]benzene.

Molecular Properties

Compound Name1,2-dichloro-4-[[4-(chloromethyl)phenoxy]methyl]benzene
PubChem CID22280207
Molecular FormulaC14H11Cl3O
Molecular Weight301.60 g/mol
Exact Mass299.99
IUPAC Name1,2-dichloro-4-[[4-(chloromethyl)phenoxy]methyl]benzene
SMILESClCc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C14H11Cl3O/c15-8-10-1-4-12(5-2-10)18-9-11-3-6-13(16)14(17)7-11/h1-7H,8-9H2
InChIKeyHHFJHICTIHHPLD-UHFFFAOYSA-N
XLogP5.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.60
LogP ≤ 55.31
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

[4-[(3,4-dichlorophenyl)methoxy]phenyl]methanamine
CID 22687493
1,4-bis[[4-(chloromethyl)phenoxy]methyl]benzene
CID 10340152
4-[[4-(2-bromoethyl)phenoxy]methyl]-1,2-dichlorobenzene
CID 174759962
4-[(3,4-dichlorophenyl)methoxy]benzoic acid
CID 2764449
1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propan-2-one
CID 115495361
1,2-dichloro-4-[4-(chloromethyl)phenoxy]benzene
CID 63568031
3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propanoic acid
CID 82051730
2-chloro-5-[(3,4-dichlorophenoxy)methyl]aniline
CID 63460490
1-(chloromethyl)-4-[(3-fluorophenyl)methoxy]benzene
CID 29038126
7-[(3,4-dichlorophenyl)methoxy]naphthalen-2-ol
CID 43326484
1-(chloromethyl)-4-[(4-fluorophenyl)methoxy]benzene
CID 22280023
3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-N-methylprop-2-en-1-amine
CID 169474704

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-[[4-(chloromethyl)phenoxy]methyl]benzene?
The IUPAC name of 1,2-dichloro-4-[[4-(chloromethyl)phenoxy]methyl]benzene (CID 22280207) is 1,2-dichloro-4-[[4-(chloromethyl)phenoxy]methyl]benzene.
What is the SMILES notation for 1,2-dichloro-4-[[4-(chloromethyl)phenoxy]methyl]benzene?
The canonical SMILES for 1,2-dichloro-4-[[4-(chloromethyl)phenoxy]methyl]benzene is ClCc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 1,2-dichloro-4-[[4-(chloromethyl)phenoxy]methyl]benzene?
The InChIKey is HHFJHICTIHHPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl3O/c15-8-10-1-4-12(5-2-10)18-9-11-3-6-13(16)14(17)7-11/h1-7H,8-9H2.
What are the key properties of 1,2-dichloro-4-[[4-(chloromethyl)phenoxy]methyl]benzene?
1,2-dichloro-4-[[4-(chloromethyl)phenoxy]methyl]benzene has a molecular weight of 301.60 g/mol, XLogP of 5.31, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-[[4-(chloromethyl)phenoxy]methyl]benzene is sourced from PubChem (CID 22280207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).