4-chloro-2-(chloromethyl)-1-[2-(4-methoxyphenyl)ethoxy]benzene

C16H16Cl2O2 — CID 65445631

IUPAC4-chloro-2-(chloromethyl)-1-[2-(4-methoxyphenyl)ethoxy]benzene
SMILESCOc1ccc(CCOc2ccc(Cl)cc2CCl)cc1
InChIInChI=1S/C16H16Cl2O2/c1-19-15-5-2-12(3-6-15)8-9-20-16-7-4-14(18)10-13(16)11-17/h2-7,10H,8-9,11H2,1H3
InChIKeyJUMWHZRZBCYLAV-UHFFFAOYSA-N
MW311.21 g/mol
LogP4.71
Rot. Bonds6

About 4-chloro-2-(chloromethyl)-1-[2-(4-methoxyphenyl)ethoxy]benzene

4-chloro-2-(chloromethyl)-1-[2-(4-methoxyphenyl)ethoxy]benzene (PubChem CID 65445631) has the molecular formula C16H16Cl2O2 and a molecular weight of 311.21 g/mol. Its IUPAC name is 4-chloro-2-(chloromethyl)-1-[2-(4-methoxyphenyl)ethoxy]benzene.

Molecular Properties

Compound Name4-chloro-2-(chloromethyl)-1-[2-(4-methoxyphenyl)ethoxy]benzene
PubChem CID65445631
Molecular FormulaC16H16Cl2O2
Molecular Weight311.21 g/mol
Exact Mass310.05
IUPAC Name4-chloro-2-(chloromethyl)-1-[2-(4-methoxyphenyl)ethoxy]benzene
SMILESCOc1ccc(CCOc2ccc(Cl)cc2CCl)cc1
InChIInChI=1S/C16H16Cl2O2/c1-19-15-5-2-12(3-6-15)8-9-20-16-7-4-14(18)10-13(16)11-17/h2-7,10H,8-9,11H2,1H3
InChIKeyJUMWHZRZBCYLAV-UHFFFAOYSA-N
XLogP4.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.21
LogP ≤ 54.71
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-dichloro-2-[2-(4-methoxyphenyl)ethoxy]benzene
CID 71628376
1-[5-chloro-2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol
CID 65446198
2-(chloromethyl)-4-methoxy-1-[(4-methoxyphenyl)methoxy]benzene
CID 43268081
[5-chloro-2-[(4-methoxyphenyl)methoxy]phenyl]methanol
CID 43141927
[2-[2-(4-methoxyphenyl)ethoxy]-5-methylphenyl]methanol
CID 65446582
2-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol
CID 107713184
2-[5-chloro-2-[(4-methoxyphenyl)methoxy]phenyl]acetic acid
CID 139026989
2-(chloromethyl)-1-[(3,4-difluorophenyl)methoxy]-4-methoxybenzene
CID 82919668
2-(chloromethyl)-1-(3-fluoropropoxy)-4-methoxybenzene
CID 81113741
2-[2-chloro-6-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanamine
CID 114321645
5-[2-[2-(chloromethyl)-4-methoxyphenoxy]ethyl]-1-methylpyrazole
CID 103003740
1-chloro-2-fluoro-4-[2-(4-methoxyphenyl)ethoxy]benzene
CID 82727338

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(chloromethyl)-1-[2-(4-methoxyphenyl)ethoxy]benzene?
The IUPAC name of 4-chloro-2-(chloromethyl)-1-[2-(4-methoxyphenyl)ethoxy]benzene (CID 65445631) is 4-chloro-2-(chloromethyl)-1-[2-(4-methoxyphenyl)ethoxy]benzene.
What is the SMILES notation for 4-chloro-2-(chloromethyl)-1-[2-(4-methoxyphenyl)ethoxy]benzene?
The canonical SMILES for 4-chloro-2-(chloromethyl)-1-[2-(4-methoxyphenyl)ethoxy]benzene is COc1ccc(CCOc2ccc(Cl)cc2CCl)cc1.
What is the InChIKey of 4-chloro-2-(chloromethyl)-1-[2-(4-methoxyphenyl)ethoxy]benzene?
The InChIKey is JUMWHZRZBCYLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2O2/c1-19-15-5-2-12(3-6-15)8-9-20-16-7-4-14(18)10-13(16)11-17/h2-7,10H,8-9,11H2,1H3.
What are the key properties of 4-chloro-2-(chloromethyl)-1-[2-(4-methoxyphenyl)ethoxy]benzene?
4-chloro-2-(chloromethyl)-1-[2-(4-methoxyphenyl)ethoxy]benzene has a molecular weight of 311.21 g/mol, XLogP of 4.71, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(chloromethyl)-1-[2-(4-methoxyphenyl)ethoxy]benzene is sourced from PubChem (CID 65445631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).