1-chloro-4-[4-[4-(2-methoxyethoxy)phenyl]phenyl]benzene

C21H19ClO2 — CID 71108634

IUPAC1-chloro-4-[4-[4-(2-methoxyethoxy)phenyl]phenyl]benzene
SMILESCOCCOc1ccc(-c2ccc(-c3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C21H19ClO2/c1-23-14-15-24-21-12-8-19(9-13-21)17-4-2-16(3-5-17)18-6-10-20(22)11-7-18/h2-13H,14-15H2,1H3
InChIKeyOUTUAMVNTJFZIX-UHFFFAOYSA-N
MW338.83 g/mol
LogP5.70
Rot. Bonds6

About 1-chloro-4-[4-[4-(2-methoxyethoxy)phenyl]phenyl]benzene

1-chloro-4-[4-[4-(2-methoxyethoxy)phenyl]phenyl]benzene (PubChem CID 71108634) has the molecular formula C21H19ClO2 and a molecular weight of 338.83 g/mol. Its IUPAC name is 1-chloro-4-[4-[4-(2-methoxyethoxy)phenyl]phenyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[4-[4-(2-methoxyethoxy)phenyl]phenyl]benzene
PubChem CID71108634
Molecular FormulaC21H19ClO2
Molecular Weight338.83 g/mol
Exact Mass338.11
IUPAC Name1-chloro-4-[4-[4-(2-methoxyethoxy)phenyl]phenyl]benzene
SMILESCOCCOc1ccc(-c2ccc(-c3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C21H19ClO2/c1-23-14-15-24-21-12-8-19(9-13-21)17-4-2-16(3-5-17)18-6-10-20(22)11-7-18/h2-13H,14-15H2,1H3
InChIKeyOUTUAMVNTJFZIX-UHFFFAOYSA-N
XLogP5.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.83
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-4-[3-(2-methoxyethoxy)phenyl]benzene
CID 91316664
1-(2-methoxyethoxy)-4-phenylbenzene
CID 20582782
3-(4-chlorophenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 60683339
1-chloro-4-(4-methoxyphenyl)benzene
CID 612791
methoxy-[4-[4-(2-methoxyethoxy)phenyl]phenyl]methanol
CID 134401499
N-(4-chlorophenyl)-2-[4-(2-methoxyethoxy)anilino]acetamide
CID 54822618
2-[2-(4-chlorophenoxy)ethoxy]ethyl-(3-methoxypropyl)azanium
CID 2280876
1-butoxy-4-[4-[4-(2-methoxyethoxy)phenyl]phenyl]benzene;1-chloro-4-[4-[4-(2-methoxyethoxy)phenyl]phenyl]benzene;1-ethoxy-4-[4-[4-(2-methoxyethoxy)phenyl]phenyl]benzene;1-fluoro-4-[4-[4-(2-methoxyethoxy)phenyl]phenyl]benzene;1-hexoxy-4-[4-[4-(2-methoxyethoxy)phenyl]phenyl]benzene;tris(1-(2-methoxyethoxy)-4-[4-(4-methylphenyl)phenyl]benzene);1-(2-methoxyethoxy)-4-[4-(4-pentoxyphenyl)phenyl]benzene;1-(2-methoxyethoxy)-4-(4-phenylphenyl)benzene;1-(2-methoxyethoxy)-4-[4-(4-propoxyphenyl)phenyl]benzene
CID 159708292
2-(4-chlorophenoxy)ethyl 4-(4-acetyloxyphenyl)benzoate
CID 7807558
2-[4-(2-methoxyethoxy)phenyl]propan-2-amine
CID 95440689
2-(4-chlorophenoxy)ethyl 4-methylbenzoate
CID 126608900
[4-(2-methoxyethoxy)phenyl]-methylidyneazanium
CID 177451533

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[4-[4-(2-methoxyethoxy)phenyl]phenyl]benzene?
The IUPAC name of 1-chloro-4-[4-[4-(2-methoxyethoxy)phenyl]phenyl]benzene (CID 71108634) is 1-chloro-4-[4-[4-(2-methoxyethoxy)phenyl]phenyl]benzene.
What is the SMILES notation for 1-chloro-4-[4-[4-(2-methoxyethoxy)phenyl]phenyl]benzene?
The canonical SMILES for 1-chloro-4-[4-[4-(2-methoxyethoxy)phenyl]phenyl]benzene is COCCOc1ccc(-c2ccc(-c3ccc(Cl)cc3)cc2)cc1.
What is the InChIKey of 1-chloro-4-[4-[4-(2-methoxyethoxy)phenyl]phenyl]benzene?
The InChIKey is OUTUAMVNTJFZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClO2/c1-23-14-15-24-21-12-8-19(9-13-21)17-4-2-16(3-5-17)18-6-10-20(22)11-7-18/h2-13H,14-15H2,1H3.
What are the key properties of 1-chloro-4-[4-[4-(2-methoxyethoxy)phenyl]phenyl]benzene?
1-chloro-4-[4-[4-(2-methoxyethoxy)phenyl]phenyl]benzene has a molecular weight of 338.83 g/mol, XLogP of 5.70, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[4-[4-(2-methoxyethoxy)phenyl]phenyl]benzene is sourced from PubChem (CID 71108634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).