1-chloro-4-[1-chloro-4-(2-methoxyphenoxy)butan-2-yl]benzene

C17H18Cl2O2 — CID 79433395

IUPAC1-chloro-4-[1-chloro-4-(2-methoxyphenoxy)butan-2-yl]benzene
SMILESCOc1ccccc1OCCC(CCl)c1ccc(Cl)cc1
InChIInChI=1S/C17H18Cl2O2/c1-20-16-4-2-3-5-17(16)21-11-10-14(12-18)13-6-8-15(19)9-7-13/h2-9,14H,10-12H2,1H3
InChIKeyKLQFCZPWAZRGJG-UHFFFAOYSA-N
MW325.24 g/mol
LogP5.14
Rot. Bonds7

About 1-chloro-4-[1-chloro-4-(2-methoxyphenoxy)butan-2-yl]benzene

1-chloro-4-[1-chloro-4-(2-methoxyphenoxy)butan-2-yl]benzene (PubChem CID 79433395) has the molecular formula C17H18Cl2O2 and a molecular weight of 325.24 g/mol. Its IUPAC name is 1-chloro-4-[1-chloro-4-(2-methoxyphenoxy)butan-2-yl]benzene.

Molecular Properties

Compound Name1-chloro-4-[1-chloro-4-(2-methoxyphenoxy)butan-2-yl]benzene
PubChem CID79433395
Molecular FormulaC17H18Cl2O2
Molecular Weight325.24 g/mol
Exact Mass324.07
IUPAC Name1-chloro-4-[1-chloro-4-(2-methoxyphenoxy)butan-2-yl]benzene
SMILESCOc1ccccc1OCCC(CCl)c1ccc(Cl)cc1
InChIInChI=1S/C17H18Cl2O2/c1-20-16-4-2-3-5-17(16)21-11-10-14(12-18)13-6-8-15(19)9-7-13/h2-9,14H,10-12H2,1H3
InChIKeyKLQFCZPWAZRGJG-UHFFFAOYSA-N
XLogP5.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.24
LogP ≤ 55.14
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-[1-chloro-4-(2-methoxyphenoxy)butan-2-yl]-2-methylbenzene
CID 79424438
1-[4-chloro-3-(chloromethyl)butoxy]-2-methoxybenzene
CID 79447279
2-(4-bromophenyl)-4-(2-methoxyphenoxy)butan-1-amine
CID 79429853
1-[4-bromo-3-(3-chlorophenyl)butoxy]-2-methoxybenzene
CID 79432961
1-[3-(chloromethyl)-4,4-dimethylpentoxy]-2-methoxybenzene
CID 83142159
1-chloro-4-(1-chloro-4-propoxybutan-2-yl)benzene
CID 106459667
1-chloro-4-(1-chloropentan-2-yl)benzene
CID 79019451
1-(4-chlorobutoxy)-2-methoxybenzene
CID 22048718
1-chloro-4-(1,3-dichloropropan-2-yl)benzene
CID 79452794
1-methoxy-2-[12-(2-methoxyphenoxy)dodecoxy]benzene
CID 134880850
1-(chloromethoxy)-2-methoxybenzene
CID 12696124
4-(2-methoxyphenoxy)-2-methylbutan-1-ol
CID 66060440

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[1-chloro-4-(2-methoxyphenoxy)butan-2-yl]benzene?
The IUPAC name of 1-chloro-4-[1-chloro-4-(2-methoxyphenoxy)butan-2-yl]benzene (CID 79433395) is 1-chloro-4-[1-chloro-4-(2-methoxyphenoxy)butan-2-yl]benzene.
What is the SMILES notation for 1-chloro-4-[1-chloro-4-(2-methoxyphenoxy)butan-2-yl]benzene?
The canonical SMILES for 1-chloro-4-[1-chloro-4-(2-methoxyphenoxy)butan-2-yl]benzene is COc1ccccc1OCCC(CCl)c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-[1-chloro-4-(2-methoxyphenoxy)butan-2-yl]benzene?
The InChIKey is KLQFCZPWAZRGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2O2/c1-20-16-4-2-3-5-17(16)21-11-10-14(12-18)13-6-8-15(19)9-7-13/h2-9,14H,10-12H2,1H3.
What are the key properties of 1-chloro-4-[1-chloro-4-(2-methoxyphenoxy)butan-2-yl]benzene?
1-chloro-4-[1-chloro-4-(2-methoxyphenoxy)butan-2-yl]benzene has a molecular weight of 325.24 g/mol, XLogP of 5.14, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[1-chloro-4-(2-methoxyphenoxy)butan-2-yl]benzene is sourced from PubChem (CID 79433395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).