1-phenoxy-4-[2-(4-phenoxyphenoxy)ethyl]benzene

C26H22O3 — CID 130400104

IUPAC1-phenoxy-4-[2-(4-phenoxyphenoxy)ethyl]benzene
SMILESc1ccc(Oc2ccc(CCOc3ccc(Oc4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C26H22O3/c1-3-7-23(8-4-1)28-25-13-11-21(12-14-25)19-20-27-22-15-17-26(18-16-22)29-24-9-5-2-6-10-24/h1-18H,19-20H2
InChIKeyFHHJUSMFSGXRMX-UHFFFAOYSA-N
MW382.46 g/mol
LogP6.89
Rot. Bonds8

About 1-phenoxy-4-[2-(4-phenoxyphenoxy)ethyl]benzene

1-phenoxy-4-[2-(4-phenoxyphenoxy)ethyl]benzene (PubChem CID 130400104) has the molecular formula C26H22O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 1-phenoxy-4-[2-(4-phenoxyphenoxy)ethyl]benzene.

Molecular Properties

Compound Name1-phenoxy-4-[2-(4-phenoxyphenoxy)ethyl]benzene
PubChem CID130400104
Molecular FormulaC26H22O3
Molecular Weight382.46 g/mol
Exact Mass382.16
IUPAC Name1-phenoxy-4-[2-(4-phenoxyphenoxy)ethyl]benzene
SMILESc1ccc(Oc2ccc(CCOc3ccc(Oc4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C26H22O3/c1-3-7-23(8-4-1)28-25-13-11-21(12-14-25)19-20-27-22-15-17-26(18-16-22)29-24-9-5-2-6-10-24/h1-18H,19-20H2
InChIKeyFHHJUSMFSGXRMX-UHFFFAOYSA-N
XLogP6.89
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.46
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(bromomethyl)-4-(2-phenoxyethyl)benzene
CID 174666948
1-(2-phenylethoxy)-4-propylbenzene
CID 70483798
bis[4-(2-phenoxyethyl)phenyl]iodanium
CID 178069647
butane;1-(2-phenylethoxy)-4-propylbenzene
CID 142957775
[4-[4-(2-phenylethoxy)phenoxy]phenyl] carbonochloridate
CID 151242428
1-methoxy-4-(2-phenylethoxy)benzene
CID 101213669
1,4-bis(6-phenoxyhexyl)benzene
CID 86175301
1-methyl-4-(2-phenylethoxy)benzene;dihydrochloride
CID 174678575
1-(2-methoxyethyl)-4-[3-(4-phenoxyphenoxy)phenoxy]benzene
CID 145141271
1-(3-phenoxy-1-phenylpropyl)-4-(2-phenylethoxy)benzene
CID 173321187
1-(2-phenoxyethyl)-4-(trifluoromethylsulfanyl)benzene
CID 71232059
[4-(2-phenylethoxy)phenyl]methyl carbamate
CID 141040425

Frequently Asked Questions

What is the IUPAC name of 1-phenoxy-4-[2-(4-phenoxyphenoxy)ethyl]benzene?
The IUPAC name of 1-phenoxy-4-[2-(4-phenoxyphenoxy)ethyl]benzene (CID 130400104) is 1-phenoxy-4-[2-(4-phenoxyphenoxy)ethyl]benzene.
What is the SMILES notation for 1-phenoxy-4-[2-(4-phenoxyphenoxy)ethyl]benzene?
The canonical SMILES for 1-phenoxy-4-[2-(4-phenoxyphenoxy)ethyl]benzene is c1ccc(Oc2ccc(CCOc3ccc(Oc4ccccc4)cc3)cc2)cc1.
What is the InChIKey of 1-phenoxy-4-[2-(4-phenoxyphenoxy)ethyl]benzene?
The InChIKey is FHHJUSMFSGXRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22O3/c1-3-7-23(8-4-1)28-25-13-11-21(12-14-25)19-20-27-22-15-17-26(18-16-22)29-24-9-5-2-6-10-24/h1-18H,19-20H2.
What are the key properties of 1-phenoxy-4-[2-(4-phenoxyphenoxy)ethyl]benzene?
1-phenoxy-4-[2-(4-phenoxyphenoxy)ethyl]benzene has a molecular weight of 382.46 g/mol, XLogP of 6.89, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenoxy-4-[2-(4-phenoxyphenoxy)ethyl]benzene is sourced from PubChem (CID 130400104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).