1-(2-methoxyethyl)-4-[3-(4-phenoxyphenoxy)phenoxy]benzene

C27H24O4 — CID 145141271

IUPAC1-(2-methoxyethyl)-4-[3-(4-phenoxyphenoxy)phenoxy]benzene
SMILESCOCCc1ccc(Oc2cccc(Oc3ccc(Oc4ccccc4)cc3)c2)cc1
InChIInChI=1S/C27H24O4/c1-28-19-18-21-10-12-23(13-11-21)30-26-8-5-9-27(20-26)31-25-16-14-24(15-17-25)29-22-6-3-2-4-7-22/h2-17,20H,18-19H2,1H3
InChIKeyXGPAJIHDSMOQFD-UHFFFAOYSA-N
MW412.49 g/mol
LogP7.25
Rot. Bonds9

About 1-(2-methoxyethyl)-4-[3-(4-phenoxyphenoxy)phenoxy]benzene

1-(2-methoxyethyl)-4-[3-(4-phenoxyphenoxy)phenoxy]benzene (PubChem CID 145141271) has the molecular formula C27H24O4 and a molecular weight of 412.49 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4-[3-(4-phenoxyphenoxy)phenoxy]benzene.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4-[3-(4-phenoxyphenoxy)phenoxy]benzene
PubChem CID145141271
Molecular FormulaC27H24O4
Molecular Weight412.49 g/mol
Exact Mass412.17
IUPAC Name1-(2-methoxyethyl)-4-[3-(4-phenoxyphenoxy)phenoxy]benzene
SMILESCOCCc1ccc(Oc2cccc(Oc3ccc(Oc4ccccc4)cc3)c2)cc1
InChIInChI=1S/C27H24O4/c1-28-19-18-21-10-12-23(13-11-21)30-26-8-5-9-27(20-26)31-25-16-14-24(15-17-25)29-22-6-3-2-4-7-22/h2-17,20H,18-19H2,1H3
InChIKeyXGPAJIHDSMOQFD-UHFFFAOYSA-N
XLogP7.25
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.49
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenoxy-4-[3-[4-(2-prop-2-enoxyethyl)phenoxy]phenoxy]benzene
CID 134504728
2-methoxyethylbenzene
CID 19089
1-phenoxy-4-[2-(4-phenoxyphenoxy)ethyl]benzene
CID 130400104
1,3-bis(4-ethylphenoxy)benzene
CID 145452264
1-methoxy-3-[2-[3-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
CID 172870937
1-phenoxy-3-[2-(3-phenoxyphenyl)ethyl]benzene
CID 3046200
1,3-bis(4-methoxyphenoxy)benzene
CID 629519
1-methoxy-3-[4-[4-(3-methoxyphenoxy)phenoxy]phenoxy]benzene
CID 139804491
1-phenoxy-3-(3-phenylpropyl)benzene
CID 173282204
4-[4-(2-methoxyethyl)phenoxy]thiophene-2-carboxylic acid
CID 113404027
1-(2-methoxyethyl)-4-(2-phenylsulfanylethoxy)benzene
CID 79403925
4-[4-(2-methoxyethyl)phenoxy]benzenesulfonyl chloride
CID 43110134

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4-[3-(4-phenoxyphenoxy)phenoxy]benzene?
The IUPAC name of 1-(2-methoxyethyl)-4-[3-(4-phenoxyphenoxy)phenoxy]benzene (CID 145141271) is 1-(2-methoxyethyl)-4-[3-(4-phenoxyphenoxy)phenoxy]benzene.
What is the SMILES notation for 1-(2-methoxyethyl)-4-[3-(4-phenoxyphenoxy)phenoxy]benzene?
The canonical SMILES for 1-(2-methoxyethyl)-4-[3-(4-phenoxyphenoxy)phenoxy]benzene is COCCc1ccc(Oc2cccc(Oc3ccc(Oc4ccccc4)cc3)c2)cc1.
What is the InChIKey of 1-(2-methoxyethyl)-4-[3-(4-phenoxyphenoxy)phenoxy]benzene?
The InChIKey is XGPAJIHDSMOQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24O4/c1-28-19-18-21-10-12-23(13-11-21)30-26-8-5-9-27(20-26)31-25-16-14-24(15-17-25)29-22-6-3-2-4-7-22/h2-17,20H,18-19H2,1H3.
What are the key properties of 1-(2-methoxyethyl)-4-[3-(4-phenoxyphenoxy)phenoxy]benzene?
1-(2-methoxyethyl)-4-[3-(4-phenoxyphenoxy)phenoxy]benzene has a molecular weight of 412.49 g/mol, XLogP of 7.25, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4-[3-(4-phenoxyphenoxy)phenoxy]benzene is sourced from PubChem (CID 145141271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).