1-(chloromethyl)-2-[(E)-4-[2-(chloromethyl)phenoxy]but-2-enoxy]benzene

C18H18Cl2O2 — CID 101421270

IUPAC1-(chloromethyl)-2-[(E)-4-[2-(chloromethyl)phenoxy]but-2-enoxy]benzene
SMILESClCc1ccccc1OC/C=C/COc1ccccc1CCl
InChIInChI=1S/C18H18Cl2O2/c19-13-15-7-1-3-9-17(15)21-11-5-6-12-22-18-10-4-2-8-16(18)14-20/h1-10H,11-14H2/b6-5+
InChIKeyYCHRITIDOWSIKU-AATRIKPKSA-N
MW337.25 g/mol
LogP5.18
Rot. Bonds8

About 1-(chloromethyl)-2-[(E)-4-[2-(chloromethyl)phenoxy]but-2-enoxy]benzene

1-(chloromethyl)-2-[(E)-4-[2-(chloromethyl)phenoxy]but-2-enoxy]benzene (PubChem CID 101421270) has the molecular formula C18H18Cl2O2 and a molecular weight of 337.25 g/mol. Its IUPAC name is 1-(chloromethyl)-2-[(E)-4-[2-(chloromethyl)phenoxy]but-2-enoxy]benzene.

Molecular Properties

Compound Name1-(chloromethyl)-2-[(E)-4-[2-(chloromethyl)phenoxy]but-2-enoxy]benzene
PubChem CID101421270
Molecular FormulaC18H18Cl2O2
Molecular Weight337.25 g/mol
Exact Mass336.07
IUPAC Name1-(chloromethyl)-2-[(E)-4-[2-(chloromethyl)phenoxy]but-2-enoxy]benzene
SMILESClCc1ccccc1OC/C=C/COc1ccccc1CCl
InChIInChI=1S/C18H18Cl2O2/c19-13-15-7-1-3-9-17(15)21-11-5-6-12-22-18-10-4-2-8-16(18)14-20/h1-10H,11-14H2/b6-5+
InChIKeyYCHRITIDOWSIKU-AATRIKPKSA-N
XLogP5.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.25
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bromoethoxy)-2-(chloromethyl)benzene
CID 155667771
2-[2-[(E)-3-chloroprop-2-enoxy]phenyl]ethanamine
CID 60905172
1,3-bis[2-(chloromethyl)phenoxy]propan-2-ol
CID 11336770
1-(chloromethyl)-2-ethenoxybenzene
CID 154327624
1-(chloromethyl)-2-(4-methoxybutoxy)benzene
CID 104648077
1-(4-chlorobut-2-enoxy)-2-iodobenzene
CID 77051500
(E)-4-[2-(hydroxymethyl)phenoxy]but-2-enoic acid
CID 63653773
1-prop-2-enoxy-2-[(2-prop-2-enoxyphenyl)methoxymethyl]benzene
CID 102306683
(2-prop-2-enoxyphenyl)methanol
CID 11137475
1-(chloromethyl)-2-(4-methylpentoxy)benzene
CID 29004036
1-(4-chlorobut-2-enoxy)-2-(trifluoromethyl)benzene
CID 77051712
N-[[2-(3-chloroprop-2-enoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 76983308

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-2-[(E)-4-[2-(chloromethyl)phenoxy]but-2-enoxy]benzene?
The IUPAC name of 1-(chloromethyl)-2-[(E)-4-[2-(chloromethyl)phenoxy]but-2-enoxy]benzene (CID 101421270) is 1-(chloromethyl)-2-[(E)-4-[2-(chloromethyl)phenoxy]but-2-enoxy]benzene.
What is the SMILES notation for 1-(chloromethyl)-2-[(E)-4-[2-(chloromethyl)phenoxy]but-2-enoxy]benzene?
The canonical SMILES for 1-(chloromethyl)-2-[(E)-4-[2-(chloromethyl)phenoxy]but-2-enoxy]benzene is ClCc1ccccc1OC/C=C/COc1ccccc1CCl.
What is the InChIKey of 1-(chloromethyl)-2-[(E)-4-[2-(chloromethyl)phenoxy]but-2-enoxy]benzene?
The InChIKey is YCHRITIDOWSIKU-AATRIKPKSA-N. The full InChI is InChI=1S/C18H18Cl2O2/c19-13-15-7-1-3-9-17(15)21-11-5-6-12-22-18-10-4-2-8-16(18)14-20/h1-10H,11-14H2/b6-5+.
What are the key properties of 1-(chloromethyl)-2-[(E)-4-[2-(chloromethyl)phenoxy]but-2-enoxy]benzene?
1-(chloromethyl)-2-[(E)-4-[2-(chloromethyl)phenoxy]but-2-enoxy]benzene has a molecular weight of 337.25 g/mol, XLogP of 5.18, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-2-[(E)-4-[2-(chloromethyl)phenoxy]but-2-enoxy]benzene is sourced from PubChem (CID 101421270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).