1-(2-phenoxyethoxy)-3-phenyl-2-(2-phenylmethoxyethoxy)benzene

C29H28O4 — CID 154422197

IUPAC1-(2-phenoxyethoxy)-3-phenyl-2-(2-phenylmethoxyethoxy)benzene
SMILESc1ccc(COCCOc2c(OCCOc3ccccc3)cccc2-c2ccccc2)cc1
InChIInChI=1S/C29H28O4/c1-4-11-24(12-5-1)23-30-19-20-33-29-27(25-13-6-2-7-14-25)17-10-18-28(29)32-22-21-31-26-15-8-3-9-16-26/h1-18H,19-23H2
InChIKeyBQOMNEVRYWJVJN-UHFFFAOYSA-N
MW440.54 g/mol
LogP6.41
Rot. Bonds12

About 1-(2-phenoxyethoxy)-3-phenyl-2-(2-phenylmethoxyethoxy)benzene

1-(2-phenoxyethoxy)-3-phenyl-2-(2-phenylmethoxyethoxy)benzene (PubChem CID 154422197) has the molecular formula C29H28O4 and a molecular weight of 440.54 g/mol. Its IUPAC name is 1-(2-phenoxyethoxy)-3-phenyl-2-(2-phenylmethoxyethoxy)benzene.

Molecular Properties

Compound Name1-(2-phenoxyethoxy)-3-phenyl-2-(2-phenylmethoxyethoxy)benzene
PubChem CID154422197
Molecular FormulaC29H28O4
Molecular Weight440.54 g/mol
Exact Mass440.20
IUPAC Name1-(2-phenoxyethoxy)-3-phenyl-2-(2-phenylmethoxyethoxy)benzene
SMILESc1ccc(COCCOc2c(OCCOc3ccccc3)cccc2-c2ccccc2)cc1
InChIInChI=1S/C29H28O4/c1-4-11-24(12-5-1)23-30-19-20-33-29-27(25-13-6-2-7-14-25)17-10-18-28(29)32-22-21-31-26-15-8-3-9-16-26/h1-18H,19-23H2
InChIKeyBQOMNEVRYWJVJN-UHFFFAOYSA-N
XLogP6.41
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.54
LogP ≤ 56.41
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

1,4-bis(2-phenoxyethoxymethyl)benzene
CID 19801574
1-methoxy-3-phenyl-2-phenylmethoxybenzene
CID 11994921
9,10-bis(2-phenylmethoxyethoxy)anthracene
CID 139845395
2-[2-(2-phenylmethoxyethoxy)ethoxy]aniline
CID 89308088
1-fluoro-3-(2-phenylmethoxyethoxy)benzene
CID 71345378
1-phenylmethoxy-6-[2-[2-[2-[2-(5-phenylmethoxynaphthalen-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]naphthalene
CID 10794421
phenoxymethylbenzene;2-phenylphenol
CID 159234068
3-[3-[2-(2-phenylphenoxy)ethoxy]phenyl]propanoic acid
CID 22686429
[4-(2-phenylmethoxyethoxy)phenyl]boronic acid
CID 23134166
4-(2-phenylmethoxyethoxy)benzoic acid
CID 43532261
1,2-bis(methoxymethoxy)-3-phenylbenzene
CID 11000249
1-phenyl-4-[2-[2-[2-[2-[2-(4-phenylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzene
CID 86003700

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenoxyethoxy)-3-phenyl-2-(2-phenylmethoxyethoxy)benzene?
The IUPAC name of 1-(2-phenoxyethoxy)-3-phenyl-2-(2-phenylmethoxyethoxy)benzene (CID 154422197) is 1-(2-phenoxyethoxy)-3-phenyl-2-(2-phenylmethoxyethoxy)benzene.
What is the SMILES notation for 1-(2-phenoxyethoxy)-3-phenyl-2-(2-phenylmethoxyethoxy)benzene?
The canonical SMILES for 1-(2-phenoxyethoxy)-3-phenyl-2-(2-phenylmethoxyethoxy)benzene is c1ccc(COCCOc2c(OCCOc3ccccc3)cccc2-c2ccccc2)cc1.
What is the InChIKey of 1-(2-phenoxyethoxy)-3-phenyl-2-(2-phenylmethoxyethoxy)benzene?
The InChIKey is BQOMNEVRYWJVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28O4/c1-4-11-24(12-5-1)23-30-19-20-33-29-27(25-13-6-2-7-14-25)17-10-18-28(29)32-22-21-31-26-15-8-3-9-16-26/h1-18H,19-23H2.
What are the key properties of 1-(2-phenoxyethoxy)-3-phenyl-2-(2-phenylmethoxyethoxy)benzene?
1-(2-phenoxyethoxy)-3-phenyl-2-(2-phenylmethoxyethoxy)benzene has a molecular weight of 440.54 g/mol, XLogP of 6.41, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenoxyethoxy)-3-phenyl-2-(2-phenylmethoxyethoxy)benzene is sourced from PubChem (CID 154422197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).