2-[[4-[9-[4-(cyclopropylmethoxy)phenyl]fluoren-9-yl]phenoxy]methyl]oxirane

C32H28O3 — CID 88858743

IUPAC2-[[4-[9-[4-(cyclopropylmethoxy)phenyl]fluoren-9-yl]phenoxy]methyl]oxirane
SMILESc1ccc2c(c1)-c1ccccc1C2(c1ccc(OCC2CC2)cc1)c1ccc(OCC2CO2)cc1
InChIInChI=1S/C32H28O3/c1-3-7-30-28(5-1)29-6-2-4-8-31(29)32(30,23-11-15-25(16-12-23)33-19-22-9-10-22)24-13-17-26(18-14-24)34-20-27-21-35-27/h1-8,11-18,22,27H,9-10,19-21H2
InChIKeyXSINCXYSEOZBHI-UHFFFAOYSA-N
MW460.57 g/mol
LogP6.62
Rot. Bonds8

About 2-[[4-[9-[4-(cyclopropylmethoxy)phenyl]fluoren-9-yl]phenoxy]methyl]oxirane

2-[[4-[9-[4-(cyclopropylmethoxy)phenyl]fluoren-9-yl]phenoxy]methyl]oxirane (PubChem CID 88858743) has the molecular formula C32H28O3 and a molecular weight of 460.57 g/mol. Its IUPAC name is 2-[[4-[9-[4-(cyclopropylmethoxy)phenyl]fluoren-9-yl]phenoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[4-[9-[4-(cyclopropylmethoxy)phenyl]fluoren-9-yl]phenoxy]methyl]oxirane
PubChem CID88858743
Molecular FormulaC32H28O3
Molecular Weight460.57 g/mol
Exact Mass460.20
IUPAC Name2-[[4-[9-[4-(cyclopropylmethoxy)phenyl]fluoren-9-yl]phenoxy]methyl]oxirane
SMILESc1ccc2c(c1)-c1ccccc1C2(c1ccc(OCC2CC2)cc1)c1ccc(OCC2CO2)cc1
InChIInChI=1S/C32H28O3/c1-3-7-30-28(5-1)29-6-2-4-8-31(29)32(30,23-11-15-25(16-12-23)33-19-22-9-10-22)24-13-17-26(18-14-24)34-20-27-21-35-27/h1-8,11-18,22,27H,9-10,19-21H2
InChIKeyXSINCXYSEOZBHI-UHFFFAOYSA-N
XLogP6.62
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.57
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-[[4-[9-[4-(cyclopropylmethoxy)phenyl]fluoren-9-yl]phenoxy]methyl]oxirane 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-(cyclopropylmethoxy)phenyl]fluoren-9-yl]phenoxy]methyl]oxirane?
The IUPAC name of 2-[[4-[9-[4-(cyclopropylmethoxy)phenyl]fluoren-9-yl]phenoxy]methyl]oxirane (CID 88858743) is 2-[[4-[9-[4-(cyclopropylmethoxy)phenyl]fluoren-9-yl]phenoxy]methyl]oxirane.
What is the SMILES notation for 2-[[4-[9-[4-(cyclopropylmethoxy)phenyl]fluoren-9-yl]phenoxy]methyl]oxirane?
The canonical SMILES for 2-[[4-[9-[4-(cyclopropylmethoxy)phenyl]fluoren-9-yl]phenoxy]methyl]oxirane is c1ccc2c(c1)-c1ccccc1C2(c1ccc(OCC2CC2)cc1)c1ccc(OCC2CO2)cc1.
What is the InChIKey of 2-[[4-[9-[4-(cyclopropylmethoxy)phenyl]fluoren-9-yl]phenoxy]methyl]oxirane?
The InChIKey is XSINCXYSEOZBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28O3/c1-3-7-30-28(5-1)29-6-2-4-8-31(29)32(30,23-11-15-25(16-12-23)33-19-22-9-10-22)24-13-17-26(18-14-24)34-20-27-21-35-27/h1-8,11-18,22,27H,9-10,19-21H2.
What are the key properties of 2-[[4-[9-[4-(cyclopropylmethoxy)phenyl]fluoren-9-yl]phenoxy]methyl]oxirane?
2-[[4-[9-[4-(cyclopropylmethoxy)phenyl]fluoren-9-yl]phenoxy]methyl]oxirane has a molecular weight of 460.57 g/mol, XLogP of 6.62, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[9-[4-(cyclopropylmethoxy)phenyl]fluoren-9-yl]phenoxy]methyl]oxirane is sourced from PubChem (CID 88858743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).