1,4-dichloro-2-(4-phenylbutoxy)benzene

C16H16Cl2O — CID 114334883

IUPAC1,4-dichloro-2-(4-phenylbutoxy)benzene
SMILESClc1ccc(Cl)c(OCCCCc2ccccc2)c1
InChIInChI=1S/C16H16Cl2O/c17-14-9-10-15(18)16(12-14)19-11-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,9-10,12H,4-5,8,11H2
InChIKeyZIYDVZYMGGAKDC-UHFFFAOYSA-N
MW295.21 g/mol
LogP5.40
Rot. Bonds6

About 1,4-dichloro-2-(4-phenylbutoxy)benzene

1,4-dichloro-2-(4-phenylbutoxy)benzene (PubChem CID 114334883) has the molecular formula C16H16Cl2O and a molecular weight of 295.21 g/mol. Its IUPAC name is 1,4-dichloro-2-(4-phenylbutoxy)benzene.

Molecular Properties

Compound Name1,4-dichloro-2-(4-phenylbutoxy)benzene
PubChem CID114334883
Molecular FormulaC16H16Cl2O
Molecular Weight295.21 g/mol
Exact Mass294.06
IUPAC Name1,4-dichloro-2-(4-phenylbutoxy)benzene
SMILESClc1ccc(Cl)c(OCCCCc2ccccc2)c1
InChIInChI=1S/C16H16Cl2O/c17-14-9-10-15(18)16(12-14)19-11-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,9-10,12H,4-5,8,11H2
InChIKeyZIYDVZYMGGAKDC-UHFFFAOYSA-N
XLogP5.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.21
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2,5-dichlorophenoxy)ethyl]-4-(2-phenylethyl)piperazine
CID 112808904
1,4-dichloro-2-(2-phenylsulfanylethoxy)benzene
CID 78910752
[5-chloro-2-(3-phenylpropoxy)phenyl]methanol
CID 43324882
2-[5-chloro-2-(3-phenylpropoxy)phenyl]acetic acid
CID 10638258
1-fluoro-2-(4-phenylbutoxy)benzene
CID 91171700
1,4-dichloro-2-[2-(4-methoxyphenyl)ethoxy]benzene
CID 71628376
1-[5-chloro-2-(3-phenylpropoxy)phenyl]ethanamine
CID 62074214
1-(2,5-dichlorophenoxy)-3-phenylpropan-2-one
CID 62028938
4-chloro-2-(2-phenylethoxy)benzoic acid
CID 61379685
4-(2,4-dichlorophenoxy)-N-(4-phenylbutyl)butanamide
CID 2841932
1,4-dichloro-2-(3-ethoxypropoxy)benzene
CID 79005556
10-(2,5-dichlorophenoxy)decane-1-sulfonyl chloride
CID 160754302

Frequently Asked Questions

What is the IUPAC name of 1,4-dichloro-2-(4-phenylbutoxy)benzene?
The IUPAC name of 1,4-dichloro-2-(4-phenylbutoxy)benzene (CID 114334883) is 1,4-dichloro-2-(4-phenylbutoxy)benzene.
What is the SMILES notation for 1,4-dichloro-2-(4-phenylbutoxy)benzene?
The canonical SMILES for 1,4-dichloro-2-(4-phenylbutoxy)benzene is Clc1ccc(Cl)c(OCCCCc2ccccc2)c1.
What is the InChIKey of 1,4-dichloro-2-(4-phenylbutoxy)benzene?
The InChIKey is ZIYDVZYMGGAKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2O/c17-14-9-10-15(18)16(12-14)19-11-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,9-10,12H,4-5,8,11H2.
What are the key properties of 1,4-dichloro-2-(4-phenylbutoxy)benzene?
1,4-dichloro-2-(4-phenylbutoxy)benzene has a molecular weight of 295.21 g/mol, XLogP of 5.40, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloro-2-(4-phenylbutoxy)benzene is sourced from PubChem (CID 114334883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).