[2-hydroxy-3-[4-[9-[4-(2-hydroxy-3-prop-2-enoyloxypropoxy)phenyl]fluoren-9-yl]phenoxy]propyl] prop-2-enoate

C37H34O8 — CID 19819901

IUPAC[2-hydroxy-3-[4-[9-[4-(2-hydroxy-3-prop-2-enoyloxypropoxy)phenyl]fluoren-9-yl]phenoxy]propyl] prop-2-enoate
SMILESC=CC(=O)OCC(O)COc1ccc(C2(c3ccc(OCC(O)COC(=O)C=C)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C37H34O8/c1-3-35(40)44-23-27(38)21-42-29-17-13-25(14-18-29)37(33-11-7-5-9-31(33)32-10-6-8-12-34(32)37)26-15-19-30(20-16-26)43-22-28(39)24-45-36(41)4-2/h3-20,27-28,38-39H,1-2,21-24H2
InChIKeyVUGKXJFTPZXBTJ-UHFFFAOYSA-N
MW606.67 g/mol
LogP4.99
Rot. Bonds14

About [2-hydroxy-3-[4-[9-[4-(2-hydroxy-3-prop-2-enoyloxypropoxy)phenyl]fluoren-9-yl]phenoxy]propyl] prop-2-enoate

[2-hydroxy-3-[4-[9-[4-(2-hydroxy-3-prop-2-enoyloxypropoxy)phenyl]fluoren-9-yl]phenoxy]propyl] prop-2-enoate (PubChem CID 19819901) has the molecular formula C37H34O8 and a molecular weight of 606.67 g/mol. Its IUPAC name is [2-hydroxy-3-[4-[9-[4-(2-hydroxy-3-prop-2-enoyloxypropoxy)phenyl]fluoren-9-yl]phenoxy]propyl] prop-2-enoate.

Molecular Properties

Compound Name[2-hydroxy-3-[4-[9-[4-(2-hydroxy-3-prop-2-enoyloxypropoxy)phenyl]fluoren-9-yl]phenoxy]propyl] prop-2-enoate
PubChem CID19819901
Molecular FormulaC37H34O8
Molecular Weight606.67 g/mol
Exact Mass606.23
IUPAC Name[2-hydroxy-3-[4-[9-[4-(2-hydroxy-3-prop-2-enoyloxypropoxy)phenyl]fluoren-9-yl]phenoxy]propyl] prop-2-enoate
SMILESC=CC(=O)OCC(O)COc1ccc(C2(c3ccc(OCC(O)COC(=O)C=C)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C37H34O8/c1-3-35(40)44-23-27(38)21-42-29-17-13-25(14-18-29)37(33-11-7-5-9-31(33)32-10-6-8-12-34(32)37)26-15-19-30(20-16-26)43-22-28(39)24-45-36(41)4-2/h3-20,27-28,38-39H,1-2,21-24H2
InChIKeyVUGKXJFTPZXBTJ-UHFFFAOYSA-N
XLogP4.99
TPSA111.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500606.67
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-3-[4-[9-[4-(2-hydroxy-3-prop-2-enoyloxypropoxy)phenyl]fluoren-9-yl]phenoxy]propyl] prop-2-enoate?
The IUPAC name of [2-hydroxy-3-[4-[9-[4-(2-hydroxy-3-prop-2-enoyloxypropoxy)phenyl]fluoren-9-yl]phenoxy]propyl] prop-2-enoate (CID 19819901) is [2-hydroxy-3-[4-[9-[4-(2-hydroxy-3-prop-2-enoyloxypropoxy)phenyl]fluoren-9-yl]phenoxy]propyl] prop-2-enoate.
What is the SMILES notation for [2-hydroxy-3-[4-[9-[4-(2-hydroxy-3-prop-2-enoyloxypropoxy)phenyl]fluoren-9-yl]phenoxy]propyl] prop-2-enoate?
The canonical SMILES for [2-hydroxy-3-[4-[9-[4-(2-hydroxy-3-prop-2-enoyloxypropoxy)phenyl]fluoren-9-yl]phenoxy]propyl] prop-2-enoate is C=CC(=O)OCC(O)COc1ccc(C2(c3ccc(OCC(O)COC(=O)C=C)cc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of [2-hydroxy-3-[4-[9-[4-(2-hydroxy-3-prop-2-enoyloxypropoxy)phenyl]fluoren-9-yl]phenoxy]propyl] prop-2-enoate?
The InChIKey is VUGKXJFTPZXBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H34O8/c1-3-35(40)44-23-27(38)21-42-29-17-13-25(14-18-29)37(33-11-7-5-9-31(33)32-10-6-8-12-34(32)37)26-15-19-30(20-16-26)43-22-28(39)24-45-36(41)4-2/h3-20,27-28,38-39H,1-2,21-24H2.
What are the key properties of [2-hydroxy-3-[4-[9-[4-(2-hydroxy-3-prop-2-enoyloxypropoxy)phenyl]fluoren-9-yl]phenoxy]propyl] prop-2-enoate?
[2-hydroxy-3-[4-[9-[4-(2-hydroxy-3-prop-2-enoyloxypropoxy)phenyl]fluoren-9-yl]phenoxy]propyl] prop-2-enoate has a molecular weight of 606.67 g/mol, XLogP of 4.99, 14 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-3-[4-[9-[4-(2-hydroxy-3-prop-2-enoyloxypropoxy)phenyl]fluoren-9-yl]phenoxy]propyl] prop-2-enoate is sourced from PubChem (CID 19819901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).