4-(chloromethyl)-2-[3-(chloromethyl)phenoxy]-1-methoxybenzene

C15H14Cl2O2 — CID 139463113

IUPAC4-(chloromethyl)-2-[3-(chloromethyl)phenoxy]-1-methoxybenzene
SMILESCOc1ccc(CCl)cc1Oc1cccc(CCl)c1
InChIInChI=1S/C15H14Cl2O2/c1-18-14-6-5-12(10-17)8-15(14)19-13-4-2-3-11(7-13)9-16/h2-8H,9-10H2,1H3
InChIKeyRSWVTNFQDPTYSE-UHFFFAOYSA-N
MW297.18 g/mol
LogP4.97
Rot. Bonds5

About 4-(chloromethyl)-2-[3-(chloromethyl)phenoxy]-1-methoxybenzene

4-(chloromethyl)-2-[3-(chloromethyl)phenoxy]-1-methoxybenzene (PubChem CID 139463113) has the molecular formula C15H14Cl2O2 and a molecular weight of 297.18 g/mol. Its IUPAC name is 4-(chloromethyl)-2-[3-(chloromethyl)phenoxy]-1-methoxybenzene.

Molecular Properties

Compound Name4-(chloromethyl)-2-[3-(chloromethyl)phenoxy]-1-methoxybenzene
PubChem CID139463113
Molecular FormulaC15H14Cl2O2
Molecular Weight297.18 g/mol
Exact Mass296.04
IUPAC Name4-(chloromethyl)-2-[3-(chloromethyl)phenoxy]-1-methoxybenzene
SMILESCOc1ccc(CCl)cc1Oc1cccc(CCl)c1
InChIInChI=1S/C15H14Cl2O2/c1-18-14-6-5-12(10-17)8-15(14)19-13-4-2-3-11(7-13)9-16/h2-8H,9-10H2,1H3
InChIKeyRSWVTNFQDPTYSE-UHFFFAOYSA-N
XLogP4.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.18
LogP ≤ 54.97
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-[3-(chloromethyl)phenoxy]-2-methoxy-4-methylbenzene
CID 112594445
1,2-dimethoxy-4-[2-[3-[2-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
CID 172870898
1,2-dimethoxy-4-[2-[4-methoxy-3-[3-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
CID 172870751
1,3-dimethoxy-5-[2-[3-[2-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
CID 172870902
1-(chloromethyl)-3-(3-methoxyphenoxy)benzene
CID 19421777
2-bromo-4-(chloromethyl)-1-[3-(methoxymethyl)phenoxy]benzene
CID 114062642
1-(chloromethyl)-3-(2-methylphenoxy)benzene
CID 112594476
1,2-dimethoxy-4-[2-[3-[3-[2-(4-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
CID 172871209
2-[3-[4-(cyanomethyl)-2-methoxyphenoxy]phenyl]acetonitrile
CID 139463123
1,2,3-trimethoxy-5-[2-[4-[2-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
CID 172870908
1-(chloromethyl)-3-(3-iodophenoxy)benzene
CID 112594493
[3-(2-methoxyphenoxy)phenyl]methanol
CID 69315022

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-[3-(chloromethyl)phenoxy]-1-methoxybenzene?
The IUPAC name of 4-(chloromethyl)-2-[3-(chloromethyl)phenoxy]-1-methoxybenzene (CID 139463113) is 4-(chloromethyl)-2-[3-(chloromethyl)phenoxy]-1-methoxybenzene.
What is the SMILES notation for 4-(chloromethyl)-2-[3-(chloromethyl)phenoxy]-1-methoxybenzene?
The canonical SMILES for 4-(chloromethyl)-2-[3-(chloromethyl)phenoxy]-1-methoxybenzene is COc1ccc(CCl)cc1Oc1cccc(CCl)c1.
What is the InChIKey of 4-(chloromethyl)-2-[3-(chloromethyl)phenoxy]-1-methoxybenzene?
The InChIKey is RSWVTNFQDPTYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2O2/c1-18-14-6-5-12(10-17)8-15(14)19-13-4-2-3-11(7-13)9-16/h2-8H,9-10H2,1H3.
What are the key properties of 4-(chloromethyl)-2-[3-(chloromethyl)phenoxy]-1-methoxybenzene?
4-(chloromethyl)-2-[3-(chloromethyl)phenoxy]-1-methoxybenzene has a molecular weight of 297.18 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-[3-(chloromethyl)phenoxy]-1-methoxybenzene is sourced from PubChem (CID 139463113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).