1-(methoxymethoxy)-4-[4-[4-(pentoxymethyl)phenyl]phenyl]benzene

C26H30O3 — CID 139620360

IUPAC1-(methoxymethoxy)-4-[4-[4-(pentoxymethyl)phenyl]phenyl]benzene
SMILESCCCCCOCc1ccc(-c2ccc(-c3ccc(OCOC)cc3)cc2)cc1
InChIInChI=1S/C26H30O3/c1-3-4-5-18-28-19-21-6-8-22(9-7-21)23-10-12-24(13-11-23)25-14-16-26(17-15-25)29-20-27-2/h6-17H,3-5,18-20H2,1-2H3
InChIKeyOWQRDFSHBXYIGL-UHFFFAOYSA-N
MW390.52 g/mol
LogP6.71
Rot. Bonds11

About 1-(methoxymethoxy)-4-[4-[4-(pentoxymethyl)phenyl]phenyl]benzene

1-(methoxymethoxy)-4-[4-[4-(pentoxymethyl)phenyl]phenyl]benzene (PubChem CID 139620360) has the molecular formula C26H30O3 and a molecular weight of 390.52 g/mol. Its IUPAC name is 1-(methoxymethoxy)-4-[4-[4-(pentoxymethyl)phenyl]phenyl]benzene.

Molecular Properties

Compound Name1-(methoxymethoxy)-4-[4-[4-(pentoxymethyl)phenyl]phenyl]benzene
PubChem CID139620360
Molecular FormulaC26H30O3
Molecular Weight390.52 g/mol
Exact Mass390.22
IUPAC Name1-(methoxymethoxy)-4-[4-[4-(pentoxymethyl)phenyl]phenyl]benzene
SMILESCCCCCOCc1ccc(-c2ccc(-c3ccc(OCOC)cc3)cc2)cc1
InChIInChI=1S/C26H30O3/c1-3-4-5-18-28-19-21-6-8-22(9-7-21)23-10-12-24(13-11-23)25-14-16-26(17-15-25)29-20-27-2/h6-17H,3-5,18-20H2,1-2H3
InChIKeyOWQRDFSHBXYIGL-UHFFFAOYSA-N
XLogP6.71
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.52
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-hexoxy-4-(2-methoxyethoxymethyl)benzene
CID 90322136
1-methoxy-4-(octoxymethyl)benzene
CID 11288168
1-methyl-4-(octoxymethyl)benzene
CID 86156710
1-heptoxy-4-(4-heptoxyphenyl)benzene
CID 53405189
1-hexadecoxy-4-(4-hexadecoxyphenyl)benzene
CID 100970451
2-[2-[2-[2-[2-[2-[2-[(4-hexadecoxyphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 24748856
1-dodecoxy-4-[2-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]ethoxymethyl]benzene
CID 24749146
4-(hexoxymethyl)phenol
CID 14816980
2,3-difluoro-1-[4-(methoxymethyl)phenyl]-4-(4-octoxyphenyl)benzene
CID 59928905
1-(chloromethyl)-4-(4-decoxyphenyl)benzene
CID 14794612
4-(pentoxymethyl)benzonitrile
CID 43275136
1-(butoxymethyl)-4-[4-[4-[(Z)-prop-1-enyl]phenyl]phenyl]benzene
CID 67677624

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethoxy)-4-[4-[4-(pentoxymethyl)phenyl]phenyl]benzene?
The IUPAC name of 1-(methoxymethoxy)-4-[4-[4-(pentoxymethyl)phenyl]phenyl]benzene (CID 139620360) is 1-(methoxymethoxy)-4-[4-[4-(pentoxymethyl)phenyl]phenyl]benzene.
What is the SMILES notation for 1-(methoxymethoxy)-4-[4-[4-(pentoxymethyl)phenyl]phenyl]benzene?
The canonical SMILES for 1-(methoxymethoxy)-4-[4-[4-(pentoxymethyl)phenyl]phenyl]benzene is CCCCCOCc1ccc(-c2ccc(-c3ccc(OCOC)cc3)cc2)cc1.
What is the InChIKey of 1-(methoxymethoxy)-4-[4-[4-(pentoxymethyl)phenyl]phenyl]benzene?
The InChIKey is OWQRDFSHBXYIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30O3/c1-3-4-5-18-28-19-21-6-8-22(9-7-21)23-10-12-24(13-11-23)25-14-16-26(17-15-25)29-20-27-2/h6-17H,3-5,18-20H2,1-2H3.
What are the key properties of 1-(methoxymethoxy)-4-[4-[4-(pentoxymethyl)phenyl]phenyl]benzene?
1-(methoxymethoxy)-4-[4-[4-(pentoxymethyl)phenyl]phenyl]benzene has a molecular weight of 390.52 g/mol, XLogP of 6.71, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethoxy)-4-[4-[4-(pentoxymethyl)phenyl]phenyl]benzene is sourced from PubChem (CID 139620360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).