1-methoxy-3-[4-[4-(3-methoxyphenoxy)phenoxy]phenoxy]benzene

C26H22O5 — CID 139804491

IUPAC1-methoxy-3-[4-[4-(3-methoxyphenoxy)phenoxy]phenoxy]benzene
SMILESCOc1cccc(Oc2ccc(Oc3ccc(Oc4cccc(OC)c4)cc3)cc2)c1
InChIInChI=1S/C26H22O5/c1-27-23-5-3-7-25(17-23)30-21-13-9-19(10-14-21)29-20-11-15-22(16-12-20)31-26-8-4-6-24(18-26)28-2/h3-18H,1-2H3
InChIKeyGZUCDHSNSWDDFO-UHFFFAOYSA-N
MW414.46 g/mol
LogP7.08
Rot. Bonds8

About 1-methoxy-3-[4-[4-(3-methoxyphenoxy)phenoxy]phenoxy]benzene

1-methoxy-3-[4-[4-(3-methoxyphenoxy)phenoxy]phenoxy]benzene (PubChem CID 139804491) has the molecular formula C26H22O5 and a molecular weight of 414.46 g/mol. Its IUPAC name is 1-methoxy-3-[4-[4-(3-methoxyphenoxy)phenoxy]phenoxy]benzene.

Molecular Properties

Compound Name1-methoxy-3-[4-[4-(3-methoxyphenoxy)phenoxy]phenoxy]benzene
PubChem CID139804491
Molecular FormulaC26H22O5
Molecular Weight414.46 g/mol
Exact Mass414.15
IUPAC Name1-methoxy-3-[4-[4-(3-methoxyphenoxy)phenoxy]phenoxy]benzene
SMILESCOc1cccc(Oc2ccc(Oc3ccc(Oc4cccc(OC)c4)cc3)cc2)c1
InChIInChI=1S/C26H22O5/c1-27-23-5-3-7-25(17-23)30-21-13-9-19(10-14-21)29-20-11-15-22(16-12-20)31-26-8-4-6-24(18-26)28-2/h3-18H,1-2H3
InChIKeyGZUCDHSNSWDDFO-UHFFFAOYSA-N
XLogP7.08
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.46
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-bis(4-methoxyphenoxy)benzene
CID 629519
1,3-dimethoxybenzene;1,4-dimethoxybenzene
CID 91359455
4-(3-methoxyphenoxy)benzonitrile
CID 15643687
azane;1,3-dimethoxybenzene
CID 70210283
tris(1,3-dimethoxybenzene);phosphane
CID 160853878
CID 172849383
CID 172849383
1-[4-(3-methoxyphenoxy)phenyl]ethanol
CID 43506404
4-(3-methoxyphenoxy)benzenesulfonyl chloride
CID 18071781
calcium;1,3-dimethoxybenzene;hydride
CID 174808068
carbanide;1,3-dimethoxybenzene;rubidium(1+)
CID 160752391
1,4-dimethoxy-2-(3-methoxyphenoxy)benzene
CID 95561214
2-[4-(3-methoxyphenoxy)phenyl]furan
CID 168524914

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[4-[4-(3-methoxyphenoxy)phenoxy]phenoxy]benzene?
The IUPAC name of 1-methoxy-3-[4-[4-(3-methoxyphenoxy)phenoxy]phenoxy]benzene (CID 139804491) is 1-methoxy-3-[4-[4-(3-methoxyphenoxy)phenoxy]phenoxy]benzene.
What is the SMILES notation for 1-methoxy-3-[4-[4-(3-methoxyphenoxy)phenoxy]phenoxy]benzene?
The canonical SMILES for 1-methoxy-3-[4-[4-(3-methoxyphenoxy)phenoxy]phenoxy]benzene is COc1cccc(Oc2ccc(Oc3ccc(Oc4cccc(OC)c4)cc3)cc2)c1.
What is the InChIKey of 1-methoxy-3-[4-[4-(3-methoxyphenoxy)phenoxy]phenoxy]benzene?
The InChIKey is GZUCDHSNSWDDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22O5/c1-27-23-5-3-7-25(17-23)30-21-13-9-19(10-14-21)29-20-11-15-22(16-12-20)31-26-8-4-6-24(18-26)28-2/h3-18H,1-2H3.
What are the key properties of 1-methoxy-3-[4-[4-(3-methoxyphenoxy)phenoxy]phenoxy]benzene?
1-methoxy-3-[4-[4-(3-methoxyphenoxy)phenoxy]phenoxy]benzene has a molecular weight of 414.46 g/mol, XLogP of 7.08, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[4-[4-(3-methoxyphenoxy)phenoxy]phenoxy]benzene is sourced from PubChem (CID 139804491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).