1-chloro-5-(chloromethyl)-3-methoxy-2-[(4-methoxyphenyl)methoxy]benzene

C16H16Cl2O3 — CID 28898530

IUPAC1-chloro-5-(chloromethyl)-3-methoxy-2-[(4-methoxyphenyl)methoxy]benzene
SMILESCOc1ccc(COc2c(Cl)cc(CCl)cc2OC)cc1
InChIInChI=1S/C16H16Cl2O3/c1-19-13-5-3-11(4-6-13)10-21-16-14(18)7-12(9-17)8-15(16)20-2/h3-8H,9-10H2,1-2H3
InChIKeyIGWCDIRKIGRRLN-UHFFFAOYSA-N
MW327.21 g/mol
LogP4.68
Rot. Bonds6

About 1-chloro-5-(chloromethyl)-3-methoxy-2-[(4-methoxyphenyl)methoxy]benzene

1-chloro-5-(chloromethyl)-3-methoxy-2-[(4-methoxyphenyl)methoxy]benzene (PubChem CID 28898530) has the molecular formula C16H16Cl2O3 and a molecular weight of 327.21 g/mol. Its IUPAC name is 1-chloro-5-(chloromethyl)-3-methoxy-2-[(4-methoxyphenyl)methoxy]benzene.

Molecular Properties

Compound Name1-chloro-5-(chloromethyl)-3-methoxy-2-[(4-methoxyphenyl)methoxy]benzene
PubChem CID28898530
Molecular FormulaC16H16Cl2O3
Molecular Weight327.21 g/mol
Exact Mass326.05
IUPAC Name1-chloro-5-(chloromethyl)-3-methoxy-2-[(4-methoxyphenyl)methoxy]benzene
SMILESCOc1ccc(COc2c(Cl)cc(CCl)cc2OC)cc1
InChIInChI=1S/C16H16Cl2O3/c1-19-13-5-3-11(4-6-13)10-21-16-14(18)7-12(9-17)8-15(16)20-2/h3-8H,9-10H2,1-2H3
InChIKeyIGWCDIRKIGRRLN-UHFFFAOYSA-N
XLogP4.68
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.21
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-5-(chloromethyl)-3-methoxy-2-[(4-methoxyphenyl)methoxy]benzene
CID 43622745
1-chloro-5-(chloromethyl)-2-[(3,5-dimethylphenyl)methoxy]-3-methoxybenzene
CID 63536847
N-[[3-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-(4-methoxyphenyl)methanamine;hydrochloride
CID 17332647
2-chloro-5-[[2-chloro-4-(chloromethyl)-6-methoxyphenoxy]methyl]thiophene
CID 28898512
N-[[3-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-(4-methoxyphenyl)ethanamine;hydrochloride
CID 17293099
4-[[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]methyl]benzoic acid
CID 894276
1-bromo-5-(chloromethyl)-3-methoxy-2-[(4-methylphenyl)methoxy]benzene
CID 43622701
N-[[3-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-1-(4-methylphenyl)methanamine;hydrochloride
CID 17055649
5-(chloromethyl)-2-[(2-chlorophenyl)methoxy]-1,3-dimethoxybenzene
CID 43516801
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-(4-methylphenyl)methanamine
CID 4723997
[3-chloro-4-[(3-ethoxy-4-phenylmethoxyphenyl)methoxy]-5-methoxyphenyl]methanol
CID 5245459
[3,5-dichloro-2-[(4-methoxyphenyl)methoxy]phenyl]methanol
CID 43516151

Frequently Asked Questions

What is the IUPAC name of 1-chloro-5-(chloromethyl)-3-methoxy-2-[(4-methoxyphenyl)methoxy]benzene?
The IUPAC name of 1-chloro-5-(chloromethyl)-3-methoxy-2-[(4-methoxyphenyl)methoxy]benzene (CID 28898530) is 1-chloro-5-(chloromethyl)-3-methoxy-2-[(4-methoxyphenyl)methoxy]benzene.
What is the SMILES notation for 1-chloro-5-(chloromethyl)-3-methoxy-2-[(4-methoxyphenyl)methoxy]benzene?
The canonical SMILES for 1-chloro-5-(chloromethyl)-3-methoxy-2-[(4-methoxyphenyl)methoxy]benzene is COc1ccc(COc2c(Cl)cc(CCl)cc2OC)cc1.
What is the InChIKey of 1-chloro-5-(chloromethyl)-3-methoxy-2-[(4-methoxyphenyl)methoxy]benzene?
The InChIKey is IGWCDIRKIGRRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2O3/c1-19-13-5-3-11(4-6-13)10-21-16-14(18)7-12(9-17)8-15(16)20-2/h3-8H,9-10H2,1-2H3.
What are the key properties of 1-chloro-5-(chloromethyl)-3-methoxy-2-[(4-methoxyphenyl)methoxy]benzene?
1-chloro-5-(chloromethyl)-3-methoxy-2-[(4-methoxyphenyl)methoxy]benzene has a molecular weight of 327.21 g/mol, XLogP of 4.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-5-(chloromethyl)-3-methoxy-2-[(4-methoxyphenyl)methoxy]benzene is sourced from PubChem (CID 28898530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).