2-chloro-1-(chloromethyl)-4-(3-ethylphenoxy)benzene

C15H14Cl2O — CID 114064490

IUPAC2-chloro-1-(chloromethyl)-4-(3-ethylphenoxy)benzene
SMILESCCc1cccc(Oc2ccc(CCl)c(Cl)c2)c1
InChIInChI=1S/C15H14Cl2O/c1-2-11-4-3-5-13(8-11)18-14-7-6-12(10-16)15(17)9-14/h3-9H,2,10H2,1H3
InChIKeyZBGSIRVMRXCXQC-UHFFFAOYSA-N
MW281.18 g/mol
LogP5.43
Rot. Bonds4

About 2-chloro-1-(chloromethyl)-4-(3-ethylphenoxy)benzene

2-chloro-1-(chloromethyl)-4-(3-ethylphenoxy)benzene (PubChem CID 114064490) has the molecular formula C15H14Cl2O and a molecular weight of 281.18 g/mol. Its IUPAC name is 2-chloro-1-(chloromethyl)-4-(3-ethylphenoxy)benzene.

Molecular Properties

Compound Name2-chloro-1-(chloromethyl)-4-(3-ethylphenoxy)benzene
PubChem CID114064490
Molecular FormulaC15H14Cl2O
Molecular Weight281.18 g/mol
Exact Mass280.04
IUPAC Name2-chloro-1-(chloromethyl)-4-(3-ethylphenoxy)benzene
SMILESCCc1cccc(Oc2ccc(CCl)c(Cl)c2)c1
InChIInChI=1S/C15H14Cl2O/c1-2-11-4-3-5-13(8-11)18-14-7-6-12(10-16)15(17)9-14/h3-9H,2,10H2,1H3
InChIKeyZBGSIRVMRXCXQC-UHFFFAOYSA-N
XLogP5.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.18
LogP ≤ 55.43
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

[2-chloro-4-(3-ethylphenoxy)phenyl]methanol
CID 114064321
4-(chloromethyl)-3-(3-ethylphenoxy)pyridine
CID 105067622
1,3-bis(4-ethylphenoxy)benzene
CID 145452264
4-[3-chloro-4-(chloromethyl)phenoxy]benzonitrile
CID 114064507
1-[3-(3-ethylphenoxy)phenyl]propan-2-amine
CID 63942734
1-[4-chloro-2-(3-ethylphenoxy)phenyl]-N-methylmethanamine
CID 114855010
3-(4-chloro-3-ethylphenoxy)aniline
CID 11021230
3-(chloromethyl)-6-(3-ethylphenoxy)pyridazine
CID 61270085
1-(chloromethyl)-3-(3-methoxyphenoxy)benzene
CID 19421777
3-(3-ethylphenoxy)benzonitrile
CID 66843456
1-ethyl-3-(4-nitrophenoxy)benzene
CID 22968899
2-chloro-1-(chloromethyl)-4-(4-chloro-2-methylphenoxy)benzene
CID 114064510

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(chloromethyl)-4-(3-ethylphenoxy)benzene?
The IUPAC name of 2-chloro-1-(chloromethyl)-4-(3-ethylphenoxy)benzene (CID 114064490) is 2-chloro-1-(chloromethyl)-4-(3-ethylphenoxy)benzene.
What is the SMILES notation for 2-chloro-1-(chloromethyl)-4-(3-ethylphenoxy)benzene?
The canonical SMILES for 2-chloro-1-(chloromethyl)-4-(3-ethylphenoxy)benzene is CCc1cccc(Oc2ccc(CCl)c(Cl)c2)c1.
What is the InChIKey of 2-chloro-1-(chloromethyl)-4-(3-ethylphenoxy)benzene?
The InChIKey is ZBGSIRVMRXCXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2O/c1-2-11-4-3-5-13(8-11)18-14-7-6-12(10-16)15(17)9-14/h3-9H,2,10H2,1H3.
What are the key properties of 2-chloro-1-(chloromethyl)-4-(3-ethylphenoxy)benzene?
2-chloro-1-(chloromethyl)-4-(3-ethylphenoxy)benzene has a molecular weight of 281.18 g/mol, XLogP of 5.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(chloromethyl)-4-(3-ethylphenoxy)benzene is sourced from PubChem (CID 114064490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).