9-[2-[4-(2,5-dimethylhexan-3-yl)phenoxy]-2-ethoxyethyl]anthracene

C32H38O2 — CID 123742634

IUPAC9-[2-[4-(2,5-dimethylhexan-3-yl)phenoxy]-2-ethoxyethyl]anthracene
SMILESCCOC(Cc1c2ccccc2cc2ccccc12)Oc1ccc(C(CC(C)C)C(C)C)cc1
InChIInChI=1S/C32H38O2/c1-6-33-32(34-27-17-15-24(16-18-27)30(23(4)5)19-22(2)3)21-31-28-13-9-7-11-25(28)20-26-12-8-10-14-29(26)31/h7-18,20,22-23,30,32H,6,19,21H2,1-5H3
InChIKeyTZMHYGJNBVVBRU-UHFFFAOYSA-N
MW454.65 g/mol
LogP8.76
Rot. Bonds10

About 9-[2-[4-(2,5-dimethylhexan-3-yl)phenoxy]-2-ethoxyethyl]anthracene

9-[2-[4-(2,5-dimethylhexan-3-yl)phenoxy]-2-ethoxyethyl]anthracene (PubChem CID 123742634) has the molecular formula C32H38O2 and a molecular weight of 454.65 g/mol. Its IUPAC name is 9-[2-[4-(2,5-dimethylhexan-3-yl)phenoxy]-2-ethoxyethyl]anthracene.

Molecular Properties

Compound Name9-[2-[4-(2,5-dimethylhexan-3-yl)phenoxy]-2-ethoxyethyl]anthracene
PubChem CID123742634
Molecular FormulaC32H38O2
Molecular Weight454.65 g/mol
Exact Mass454.29
IUPAC Name9-[2-[4-(2,5-dimethylhexan-3-yl)phenoxy]-2-ethoxyethyl]anthracene
SMILESCCOC(Cc1c2ccccc2cc2ccccc12)Oc1ccc(C(CC(C)C)C(C)C)cc1
InChIInChI=1S/C32H38O2/c1-6-33-32(34-27-17-15-24(16-18-27)30(23(4)5)19-22(2)3)21-31-28-13-9-7-11-25(28)20-26-12-8-10-14-29(26)31/h7-18,20,22-23,30,32H,6,19,21H2,1-5H3
InChIKeyTZMHYGJNBVVBRU-UHFFFAOYSA-N
XLogP8.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.65
LogP ≤ 58.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 9-[2-[4-(2,5-dimethylhexan-3-yl)phenoxy]-2-ethoxyethyl]anthracene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-[1-[4-(2,5-dimethylhexan-3-yl)phenoxy]ethoxy]anthracene
CID 123456326
1-(2,6-dimethylheptan-4-yl)-4-(1-ethoxypropoxy)benzene
CID 123693664
1-(2,5-dimethylheptan-4-yl)-4-(1-ethoxyethoxy)benzene
CID 123503822
9-(2-ethoxypropoxymethyl)anthracene
CID 89342158
(2-ethoxy-2-phenoxyethyl)benzene
CID 54511534
9-propan-2-yloxyanthracene
CID 13287348
1-(1-ethoxy-2-methylpropoxy)-4-(5-methylhexan-3-yl)benzene
CID 144963504
1-anthracen-9-ylpropan-2-ol
CID 19889136
1-(2,5-dimethylhexan-3-yl)-4-[1-[(Z,2E)-2-ethylidenepent-3-enoxy]ethoxy]benzene;ethane
CID 144963490
2-(2,5-dimethylhexan-3-yl)-6-methylnaphthalene;ethane
CID 143860570
1-(2,2-diethoxyethyl)naphthalene
CID 146004800
ethyl 2-amino-3-anthracen-9-ylpropanoate
CID 170884626

Frequently Asked Questions

What is the IUPAC name of 9-[2-[4-(2,5-dimethylhexan-3-yl)phenoxy]-2-ethoxyethyl]anthracene?
The IUPAC name of 9-[2-[4-(2,5-dimethylhexan-3-yl)phenoxy]-2-ethoxyethyl]anthracene (CID 123742634) is 9-[2-[4-(2,5-dimethylhexan-3-yl)phenoxy]-2-ethoxyethyl]anthracene.
What is the SMILES notation for 9-[2-[4-(2,5-dimethylhexan-3-yl)phenoxy]-2-ethoxyethyl]anthracene?
The canonical SMILES for 9-[2-[4-(2,5-dimethylhexan-3-yl)phenoxy]-2-ethoxyethyl]anthracene is CCOC(Cc1c2ccccc2cc2ccccc12)Oc1ccc(C(CC(C)C)C(C)C)cc1.
What is the InChIKey of 9-[2-[4-(2,5-dimethylhexan-3-yl)phenoxy]-2-ethoxyethyl]anthracene?
The InChIKey is TZMHYGJNBVVBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38O2/c1-6-33-32(34-27-17-15-24(16-18-27)30(23(4)5)19-22(2)3)21-31-28-13-9-7-11-25(28)20-26-12-8-10-14-29(26)31/h7-18,20,22-23,30,32H,6,19,21H2,1-5H3.
What are the key properties of 9-[2-[4-(2,5-dimethylhexan-3-yl)phenoxy]-2-ethoxyethyl]anthracene?
9-[2-[4-(2,5-dimethylhexan-3-yl)phenoxy]-2-ethoxyethyl]anthracene has a molecular weight of 454.65 g/mol, XLogP of 8.76, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[4-(2,5-dimethylhexan-3-yl)phenoxy]-2-ethoxyethyl]anthracene is sourced from PubChem (CID 123742634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).