1,3-bis(4-ethylphenoxy)benzene

C22H22O2 — CID 145452264

IUPAC1,3-bis(4-ethylphenoxy)benzene
SMILESCCc1ccc(Oc2cccc(Oc3ccc(CC)cc3)c2)cc1
InChIInChI=1S/C22H22O2/c1-3-17-8-12-19(13-9-17)23-21-6-5-7-22(16-21)24-20-14-10-18(4-2)11-15-20/h5-16H,3-4H2,1-2H3
InChIKeyCCPKIVKTIRREMU-UHFFFAOYSA-N
MW318.42 g/mol
LogP6.40
Rot. Bonds6

About 1,3-bis(4-ethylphenoxy)benzene

1,3-bis(4-ethylphenoxy)benzene (PubChem CID 145452264) has the molecular formula C22H22O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1,3-bis(4-ethylphenoxy)benzene.

Molecular Properties

Compound Name1,3-bis(4-ethylphenoxy)benzene
PubChem CID145452264
Molecular FormulaC22H22O2
Molecular Weight318.42 g/mol
Exact Mass318.16
IUPAC Name1,3-bis(4-ethylphenoxy)benzene
SMILESCCc1ccc(Oc2cccc(Oc3ccc(CC)cc3)c2)cc1
InChIInChI=1S/C22H22O2/c1-3-17-8-12-19(13-9-17)23-21-6-5-7-22(16-21)24-20-14-10-18(4-2)11-15-20/h5-16H,3-4H2,1-2H3
InChIKeyCCPKIVKTIRREMU-UHFFFAOYSA-N
XLogP6.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.42
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-4-(3-methylphenoxy)benzene
CID 54200256
4-(4-ethylphenoxy)-1,2-difluorobenzene
CID 70811665
1-ethyl-4-(4-iodophenoxy)benzene
CID 118066756
1,3-bis[2-[2-(4-ethylphenoxy)ethoxy]ethoxy]benzene
CID 102046454
4-(4-ethylphenoxy)-2-methylaniline
CID 26190351
1,3-bis(4-methoxyphenoxy)benzene
CID 629519
1-methoxy-3-[4-[4-(3-methoxyphenoxy)phenoxy]phenoxy]benzene
CID 139804491
5-[4-(3-ethylphenoxy)phenyl]pentan-1-ol
CID 139655848
1-ethyl-4-[4-(methoxymethyl)phenoxy]benzene
CID 170064957
1-(2-methoxyethyl)-4-[3-(4-phenoxyphenoxy)phenoxy]benzene
CID 145141271
1,4-bis[3-(3-fluorophenoxy)phenoxy]benzene
CID 22338391
1-ethyl-3-(4-nitrophenoxy)benzene
CID 22968899

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(4-ethylphenoxy)benzene?
The IUPAC name of 1,3-bis(4-ethylphenoxy)benzene (CID 145452264) is 1,3-bis(4-ethylphenoxy)benzene.
What is the SMILES notation for 1,3-bis(4-ethylphenoxy)benzene?
The canonical SMILES for 1,3-bis(4-ethylphenoxy)benzene is CCc1ccc(Oc2cccc(Oc3ccc(CC)cc3)c2)cc1.
What is the InChIKey of 1,3-bis(4-ethylphenoxy)benzene?
The InChIKey is CCPKIVKTIRREMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O2/c1-3-17-8-12-19(13-9-17)23-21-6-5-7-22(16-21)24-20-14-10-18(4-2)11-15-20/h5-16H,3-4H2,1-2H3.
What are the key properties of 1,3-bis(4-ethylphenoxy)benzene?
1,3-bis(4-ethylphenoxy)benzene has a molecular weight of 318.42 g/mol, XLogP of 6.40, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4-ethylphenoxy)benzene is sourced from PubChem (CID 145452264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).