1,4-bis(2-phenoxyethoxymethyl)benzene

C24H26O4 — CID 19801574

IUPAC1,4-bis(2-phenoxyethoxymethyl)benzene
SMILESc1ccc(OCCOCc2ccc(COCCOc3ccccc3)cc2)cc1
InChIInChI=1S/C24H26O4/c1-3-7-23(8-4-1)27-17-15-25-19-21-11-13-22(14-12-21)20-26-16-18-28-24-9-5-2-6-10-24/h1-14H,15-20H2
InChIKeyFCIJRNZXVCKBBM-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.88
Rot. Bonds12

About 1,4-bis(2-phenoxyethoxymethyl)benzene

1,4-bis(2-phenoxyethoxymethyl)benzene (PubChem CID 19801574) has the molecular formula C24H26O4 and a molecular weight of 378.47 g/mol. Its IUPAC name is 1,4-bis(2-phenoxyethoxymethyl)benzene.

Molecular Properties

Compound Name1,4-bis(2-phenoxyethoxymethyl)benzene
PubChem CID19801574
Molecular FormulaC24H26O4
Molecular Weight378.47 g/mol
Exact Mass378.18
IUPAC Name1,4-bis(2-phenoxyethoxymethyl)benzene
SMILESc1ccc(OCCOCc2ccc(COCCOc3ccccc3)cc2)cc1
InChIInChI=1S/C24H26O4/c1-3-7-23(8-4-1)27-17-15-25-19-21-11-13-22(14-12-21)20-26-16-18-28-24-9-5-2-6-10-24/h1-14H,15-20H2
InChIKeyFCIJRNZXVCKBBM-UHFFFAOYSA-N
XLogP4.88
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-phenylmethoxyethoxy)benzoic acid
CID 43532261
[4-(2-phenylmethoxyethoxy)phenyl]boronic acid
CID 23134166
1-fluoro-3-(2-phenylmethoxyethoxy)benzene
CID 71345378
9,10-bis(2-phenylmethoxyethoxy)anthracene
CID 139845395
2-fluoro-5-(2-phenoxyethoxymethyl)benzoic acid
CID 107881120
2-phenoxyethylmercury
CID 163598363
1-(2-phenoxyethoxy)-3-phenyl-2-(2-phenylmethoxyethoxy)benzene
CID 154422197
1-bromo-3-fluoro-5-(2-phenoxyethoxymethyl)benzene
CID 79701276
2-[(4-methoxyphenyl)methoxy]-N-(2-phenoxyethyl)ethanamine
CID 166769212
1-(2-phenylmethoxyethoxy)-4-(2,4,4-trimethylpentan-2-yl)benzene
CID 58676284
2-(2-phenoxyethoxy)ethanol
CID 7715
1,3,5-tris[5-[3,5-bis[5-[3,5-bis(5-phenylmethoxypentoxy)phenoxy]pentoxy]phenoxy]pentoxy]benzene
CID 134929469

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(2-phenoxyethoxymethyl)benzene?
The IUPAC name of 1,4-bis(2-phenoxyethoxymethyl)benzene (CID 19801574) is 1,4-bis(2-phenoxyethoxymethyl)benzene.
What is the SMILES notation for 1,4-bis(2-phenoxyethoxymethyl)benzene?
The canonical SMILES for 1,4-bis(2-phenoxyethoxymethyl)benzene is c1ccc(OCCOCc2ccc(COCCOc3ccccc3)cc2)cc1.
What is the InChIKey of 1,4-bis(2-phenoxyethoxymethyl)benzene?
The InChIKey is FCIJRNZXVCKBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O4/c1-3-7-23(8-4-1)27-17-15-25-19-21-11-13-22(14-12-21)20-26-16-18-28-24-9-5-2-6-10-24/h1-14H,15-20H2.
What are the key properties of 1,4-bis(2-phenoxyethoxymethyl)benzene?
1,4-bis(2-phenoxyethoxymethyl)benzene has a molecular weight of 378.47 g/mol, XLogP of 4.88, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(2-phenoxyethoxymethyl)benzene is sourced from PubChem (CID 19801574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).