2-[4-[9-[4-(2-methoxyethoxy)-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]ethanol

C42H36O4 — CID 146666746

IUPAC2-[4-[9-[4-(2-methoxyethoxy)-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]ethanol
SMILESCOCCOc1ccc(C2(c3ccc(OCCO)c(-c4ccccc4)c3)c3ccccc3-c3ccccc32)cc1-c1ccccc1
InChIInChI=1S/C42H36O4/c1-44-26-27-46-41-23-21-33(29-37(41)31-14-6-3-7-15-31)42(38-18-10-8-16-34(38)35-17-9-11-19-39(35)42)32-20-22-40(45-25-24-43)36(28-32)30-12-4-2-5-13-30/h2-23,28-29,43H,24-27H2,1H3
InChIKeyYLFVMWXWKZLNPD-UHFFFAOYSA-N
MW604.75 g/mol
LogP8.78
Rot. Bonds11

About 2-[4-[9-[4-(2-methoxyethoxy)-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]ethanol

2-[4-[9-[4-(2-methoxyethoxy)-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]ethanol (PubChem CID 146666746) has the molecular formula C42H36O4 and a molecular weight of 604.75 g/mol. Its IUPAC name is 2-[4-[9-[4-(2-methoxyethoxy)-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]ethanol.

Molecular Properties

Compound Name2-[4-[9-[4-(2-methoxyethoxy)-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]ethanol
PubChem CID146666746
Molecular FormulaC42H36O4
Molecular Weight604.75 g/mol
Exact Mass604.26
IUPAC Name2-[4-[9-[4-(2-methoxyethoxy)-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]ethanol
SMILESCOCCOc1ccc(C2(c3ccc(OCCO)c(-c4ccccc4)c3)c3ccccc3-c3ccccc32)cc1-c1ccccc1
InChIInChI=1S/C42H36O4/c1-44-26-27-46-41-23-21-33(29-37(41)31-14-6-3-7-15-31)42(38-18-10-8-16-34(38)35-17-9-11-19-39(35)42)32-20-22-40(45-25-24-43)36(28-32)30-12-4-2-5-13-30/h2-23,28-29,43H,24-27H2,1H3
InChIKeyYLFVMWXWKZLNPD-UHFFFAOYSA-N
XLogP8.78
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.75
LogP ≤ 58.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-[9-[4-(2-methoxyethoxy)-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]ethanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[9-[4-(2-methoxyethoxy)-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]ethanol?
The IUPAC name of 2-[4-[9-[4-(2-methoxyethoxy)-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]ethanol (CID 146666746) is 2-[4-[9-[4-(2-methoxyethoxy)-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]ethanol.
What is the SMILES notation for 2-[4-[9-[4-(2-methoxyethoxy)-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]ethanol?
The canonical SMILES for 2-[4-[9-[4-(2-methoxyethoxy)-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]ethanol is COCCOc1ccc(C2(c3ccc(OCCO)c(-c4ccccc4)c3)c3ccccc3-c3ccccc32)cc1-c1ccccc1.
What is the InChIKey of 2-[4-[9-[4-(2-methoxyethoxy)-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]ethanol?
The InChIKey is YLFVMWXWKZLNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H36O4/c1-44-26-27-46-41-23-21-33(29-37(41)31-14-6-3-7-15-31)42(38-18-10-8-16-34(38)35-17-9-11-19-39(35)42)32-20-22-40(45-25-24-43)36(28-32)30-12-4-2-5-13-30/h2-23,28-29,43H,24-27H2,1H3.
What are the key properties of 2-[4-[9-[4-(2-methoxyethoxy)-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]ethanol?
2-[4-[9-[4-(2-methoxyethoxy)-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]ethanol has a molecular weight of 604.75 g/mol, XLogP of 8.78, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[9-[4-(2-methoxyethoxy)-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]ethanol is sourced from PubChem (CID 146666746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).