9,10-bis(2-phenylmethoxyethoxy)anthracene

C32H30O4 — CID 139845395

IUPAC9,10-bis(2-phenylmethoxyethoxy)anthracene
SMILESc1ccc(COCCOc2c3ccccc3c(OCCOCc3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C32H30O4/c1-3-11-25(12-4-1)23-33-19-21-35-31-27-15-7-9-17-29(27)32(30-18-10-8-16-28(30)31)36-22-20-34-24-26-13-5-2-6-14-26/h1-18H,19-24H2
InChIKeyQCOJZKBCDVXJBP-UHFFFAOYSA-N
MW478.59 g/mol
LogP7.18
Rot. Bonds12

About 9,10-bis(2-phenylmethoxyethoxy)anthracene

9,10-bis(2-phenylmethoxyethoxy)anthracene (PubChem CID 139845395) has the molecular formula C32H30O4 and a molecular weight of 478.59 g/mol. Its IUPAC name is 9,10-bis(2-phenylmethoxyethoxy)anthracene.

Molecular Properties

Compound Name9,10-bis(2-phenylmethoxyethoxy)anthracene
PubChem CID139845395
Molecular FormulaC32H30O4
Molecular Weight478.59 g/mol
Exact Mass478.21
IUPAC Name9,10-bis(2-phenylmethoxyethoxy)anthracene
SMILESc1ccc(COCCOc2c3ccccc3c(OCCOCc3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C32H30O4/c1-3-11-25(12-4-1)23-33-19-21-35-31-27-15-7-9-17-29(27)32(30-18-10-8-16-28(30)31)36-22-20-34-24-26-13-5-2-6-14-26/h1-18H,19-24H2
InChIKeyQCOJZKBCDVXJBP-UHFFFAOYSA-N
XLogP7.18
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.59
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1,4-bis(2-phenoxyethoxymethyl)benzene
CID 19801574
5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene
CID 135358353
2-[2-(2-phenylmethoxyethoxy)ethoxy]aniline
CID 89308088
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethylbenzene
CID 153014245
2-[2-(2-methoxyethoxy)ethoxy]ethoxymethylbenzene
CID 15050635
2-(2-phenylmethoxyethoxy)ethoxymethanol
CID 57257914
CID 66734377
CID 66734377
2-iodoethoxymethylbenzene
CID 10355314
1-(2-phenoxyethoxy)-3-phenyl-2-(2-phenylmethoxyethoxy)benzene
CID 154422197
1-fluoro-3-(2-phenylmethoxyethoxy)benzene
CID 71345378
[4-(2-phenylmethoxyethoxy)phenyl]boronic acid
CID 23134166
4-(2-phenylmethoxyethoxy)benzoic acid
CID 43532261

Frequently Asked Questions

What is the IUPAC name of 9,10-bis(2-phenylmethoxyethoxy)anthracene?
The IUPAC name of 9,10-bis(2-phenylmethoxyethoxy)anthracene (CID 139845395) is 9,10-bis(2-phenylmethoxyethoxy)anthracene.
What is the SMILES notation for 9,10-bis(2-phenylmethoxyethoxy)anthracene?
The canonical SMILES for 9,10-bis(2-phenylmethoxyethoxy)anthracene is c1ccc(COCCOc2c3ccccc3c(OCCOCc3ccccc3)c3ccccc23)cc1.
What is the InChIKey of 9,10-bis(2-phenylmethoxyethoxy)anthracene?
The InChIKey is QCOJZKBCDVXJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30O4/c1-3-11-25(12-4-1)23-33-19-21-35-31-27-15-7-9-17-29(27)32(30-18-10-8-16-28(30)31)36-22-20-34-24-26-13-5-2-6-14-26/h1-18H,19-24H2.
What are the key properties of 9,10-bis(2-phenylmethoxyethoxy)anthracene?
9,10-bis(2-phenylmethoxyethoxy)anthracene has a molecular weight of 478.59 g/mol, XLogP of 7.18, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-bis(2-phenylmethoxyethoxy)anthracene is sourced from PubChem (CID 139845395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).