2-[[4-[9-[4-[[(2S)-oxiran-2-yl]methoxy]-3,5-bis(prop-2-enyl)phenyl]-4a,9a-dihydrofluoren-9-yl]-2,6-bis(prop-2-enyl)phenoxy]methyl]oxirane

C43H44O4 — CID 90252758

IUPAC2-[[4-[9-[4-[[(2S)-oxiran-2-yl]methoxy]-3,5-bis(prop-2-enyl)phenyl]-4a,9a-dihydrofluoren-9-yl]-2,6-bis(prop-2-enyl)phenoxy]methyl]oxirane
SMILESC=CCc1cc(C2(c3cc(CC=C)c(OC[C@@H]4CO4)c(CC=C)c3)c3ccccc3C3C=CC=CC32)cc(CC=C)c1OCC1CO1
InChIInChI=1S/C43H44O4/c1-5-13-29-21-33(22-30(14-6-2)41(29)46-27-35-25-44-35)43(39-19-11-9-17-37(39)38-18-10-12-20-40(38)43)34-23-31(15-7-3)42(32(24-34)16-8-4)47-28-36-26-45-36/h5-12,17-24,35-37,39H,1-4,13-16,25-28H2/t35-,36?,37?,39?,43?/m0/s1
InChIKeyMUAFWSCXOKGOFM-OPASNCIYSA-N
MW624.82 g/mol
LogP8.33
Rot. Bonds16

About 2-[[4-[9-[4-[[(2S)-oxiran-2-yl]methoxy]-3,5-bis(prop-2-enyl)phenyl]-4a,9a-dihydrofluoren-9-yl]-2,6-bis(prop-2-enyl)phenoxy]methyl]oxirane

2-[[4-[9-[4-[[(2S)-oxiran-2-yl]methoxy]-3,5-bis(prop-2-enyl)phenyl]-4a,9a-dihydrofluoren-9-yl]-2,6-bis(prop-2-enyl)phenoxy]methyl]oxirane (PubChem CID 90252758) has the molecular formula C43H44O4 and a molecular weight of 624.82 g/mol. Its IUPAC name is 2-[[4-[9-[4-[[(2S)-oxiran-2-yl]methoxy]-3,5-bis(prop-2-enyl)phenyl]-4a,9a-dihydrofluoren-9-yl]-2,6-bis(prop-2-enyl)phenoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[4-[9-[4-[[(2S)-oxiran-2-yl]methoxy]-3,5-bis(prop-2-enyl)phenyl]-4a,9a-dihydrofluoren-9-yl]-2,6-bis(prop-2-enyl)phenoxy]methyl]oxirane
PubChem CID90252758
Molecular FormulaC43H44O4
Molecular Weight624.82 g/mol
Exact Mass624.32
IUPAC Name2-[[4-[9-[4-[[(2S)-oxiran-2-yl]methoxy]-3,5-bis(prop-2-enyl)phenyl]-4a,9a-dihydrofluoren-9-yl]-2,6-bis(prop-2-enyl)phenoxy]methyl]oxirane
SMILESC=CCc1cc(C2(c3cc(CC=C)c(OC[C@@H]4CO4)c(CC=C)c3)c3ccccc3C3C=CC=CC32)cc(CC=C)c1OCC1CO1
InChIInChI=1S/C43H44O4/c1-5-13-29-21-33(22-30(14-6-2)41(29)46-27-35-25-44-35)43(39-19-11-9-17-37(39)38-18-10-12-20-40(38)43)34-23-31(15-7-3)42(32(24-34)16-8-4)47-28-36-26-45-36/h5-12,17-24,35-37,39H,1-4,13-16,25-28H2/t35-,36?,37?,39?,43?/m0/s1
InChIKeyMUAFWSCXOKGOFM-OPASNCIYSA-N
XLogP8.33
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.82
LogP ≤ 58.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[4-[9-[4-[[(2S)-oxiran-2-yl]methoxy]-3,5-bis(prop-2-enyl)phenyl]-4a,9a-dihydrofluoren-9-yl]-2,6-bis(prop-2-enyl)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-[[(2S)-oxiran-2-yl]methoxy]-3,5-bis(prop-2-enyl)phenyl]-4a,9a-dihydrofluoren-9-yl]-2,6-bis(prop-2-enyl)phenoxy]methyl]oxirane?
The IUPAC name of 2-[[4-[9-[4-[[(2S)-oxiran-2-yl]methoxy]-3,5-bis(prop-2-enyl)phenyl]-4a,9a-dihydrofluoren-9-yl]-2,6-bis(prop-2-enyl)phenoxy]methyl]oxirane (CID 90252758) is 2-[[4-[9-[4-[[(2S)-oxiran-2-yl]methoxy]-3,5-bis(prop-2-enyl)phenyl]-4a,9a-dihydrofluoren-9-yl]-2,6-bis(prop-2-enyl)phenoxy]methyl]oxirane.
What is the SMILES notation for 2-[[4-[9-[4-[[(2S)-oxiran-2-yl]methoxy]-3,5-bis(prop-2-enyl)phenyl]-4a,9a-dihydrofluoren-9-yl]-2,6-bis(prop-2-enyl)phenoxy]methyl]oxirane?
The canonical SMILES for 2-[[4-[9-[4-[[(2S)-oxiran-2-yl]methoxy]-3,5-bis(prop-2-enyl)phenyl]-4a,9a-dihydrofluoren-9-yl]-2,6-bis(prop-2-enyl)phenoxy]methyl]oxirane is C=CCc1cc(C2(c3cc(CC=C)c(OC[C@@H]4CO4)c(CC=C)c3)c3ccccc3C3C=CC=CC32)cc(CC=C)c1OCC1CO1.
What is the InChIKey of 2-[[4-[9-[4-[[(2S)-oxiran-2-yl]methoxy]-3,5-bis(prop-2-enyl)phenyl]-4a,9a-dihydrofluoren-9-yl]-2,6-bis(prop-2-enyl)phenoxy]methyl]oxirane?
The InChIKey is MUAFWSCXOKGOFM-OPASNCIYSA-N. The full InChI is InChI=1S/C43H44O4/c1-5-13-29-21-33(22-30(14-6-2)41(29)46-27-35-25-44-35)43(39-19-11-9-17-37(39)38-18-10-12-20-40(38)43)34-23-31(15-7-3)42(32(24-34)16-8-4)47-28-36-26-45-36/h5-12,17-24,35-37,39H,1-4,13-16,25-28H2/t35-,36?,37?,39?,43?/m0/s1.
What are the key properties of 2-[[4-[9-[4-[[(2S)-oxiran-2-yl]methoxy]-3,5-bis(prop-2-enyl)phenyl]-4a,9a-dihydrofluoren-9-yl]-2,6-bis(prop-2-enyl)phenoxy]methyl]oxirane?
2-[[4-[9-[4-[[(2S)-oxiran-2-yl]methoxy]-3,5-bis(prop-2-enyl)phenyl]-4a,9a-dihydrofluoren-9-yl]-2,6-bis(prop-2-enyl)phenoxy]methyl]oxirane has a molecular weight of 624.82 g/mol, XLogP of 8.33, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[9-[4-[[(2S)-oxiran-2-yl]methoxy]-3,5-bis(prop-2-enyl)phenyl]-4a,9a-dihydrofluoren-9-yl]-2,6-bis(prop-2-enyl)phenoxy]methyl]oxirane is sourced from PubChem (CID 90252758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).