prop-2-enyl 3-[4-[9-[4-(3-oxo-3-prop-2-enoxypropoxy)phenyl]fluoren-9-yl]phenoxy]propanoate

C37H34O6 — CID 100914057

IUPACprop-2-enyl 3-[4-[9-[4-(3-oxo-3-prop-2-enoxypropoxy)phenyl]fluoren-9-yl]phenoxy]propanoate
SMILESC=CCOC(=O)CCOc1ccc(C2(c3ccc(OCCC(=O)OCC=C)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C37H34O6/c1-3-23-42-35(38)21-25-40-29-17-13-27(14-18-29)37(33-11-7-5-9-31(33)32-10-6-8-12-34(32)37)28-15-19-30(20-16-28)41-26-22-36(39)43-24-4-2/h3-20H,1-2,21-26H2
InChIKeyJFUJOPMWYHOLDE-UHFFFAOYSA-N
MW574.67 g/mol
LogP7.05
Rot. Bonds14

About prop-2-enyl 3-[4-[9-[4-(3-oxo-3-prop-2-enoxypropoxy)phenyl]fluoren-9-yl]phenoxy]propanoate

prop-2-enyl 3-[4-[9-[4-(3-oxo-3-prop-2-enoxypropoxy)phenyl]fluoren-9-yl]phenoxy]propanoate (PubChem CID 100914057) has the molecular formula C37H34O6 and a molecular weight of 574.67 g/mol. Its IUPAC name is prop-2-enyl 3-[4-[9-[4-(3-oxo-3-prop-2-enoxypropoxy)phenyl]fluoren-9-yl]phenoxy]propanoate.

Molecular Properties

Compound Nameprop-2-enyl 3-[4-[9-[4-(3-oxo-3-prop-2-enoxypropoxy)phenyl]fluoren-9-yl]phenoxy]propanoate
PubChem CID100914057
Molecular FormulaC37H34O6
Molecular Weight574.67 g/mol
Exact Mass574.24
IUPAC Nameprop-2-enyl 3-[4-[9-[4-(3-oxo-3-prop-2-enoxypropoxy)phenyl]fluoren-9-yl]phenoxy]propanoate
SMILESC=CCOC(=O)CCOc1ccc(C2(c3ccc(OCCC(=O)OCC=C)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C37H34O6/c1-3-23-42-35(38)21-25-40-29-17-13-27(14-18-29)37(33-11-7-5-9-31(33)32-10-6-8-12-34(32)37)28-15-19-30(20-16-28)41-26-22-36(39)43-24-4-2/h3-20H,1-2,21-26H2
InChIKeyJFUJOPMWYHOLDE-UHFFFAOYSA-N
XLogP7.05
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.67
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

9-phenyl-9-[4-(2-prop-2-enoxyethoxy)phenyl]fluorene
CID 135250997
2-[2-[4-[9-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]phenyl]fluoren-9-yl]phenoxy]ethoxy]ethyl prop-2-enoate
CID 59702760
2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl prop-2-enoate;2-[4-[9-[4-(2-prop-2-enoyloxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl prop-2-enoate
CID 160842245
2-methyl-6-[4-[9-[4-(5-methyl-3,4-dioxohex-5-enoxy)phenyl]fluoren-9-yl]phenoxy]hex-1-ene-3,4-dione
CID 66717671
9,9-bis[4-(2-ethenoxyethoxy)phenyl]fluorene
CID 68925049
5-[4-[9-(4-butoxyphenyl)fluoren-9-yl]phenoxy]pentan-2-one
CID 176819827
6-[4-[9-[4-(6-but-2-enoyloxyhexoxy)phenyl]fluoren-9-yl]phenoxy]hexyl but-2-enoate
CID 168867072
2-[4-[7-[4-(2-prop-2-enoyloxyethoxy)phenyl]benzo[a]phenalen-7-yl]phenoxy]ethyl prop-2-enoate
CID 118230473
9,9-bis(4-propoxyphenyl)fluorene;ethane
CID 90994081
[(2S)-2-hydroxy-3-[4-[9-[4-[(2S)-2-hydroxy-3-prop-2-enoyloxypropoxy]phenyl]fluoren-9-yl]phenoxy]propyl] prop-2-enoate
CID 98048093
[2-methyl-3-[2-[4-[9-[4-[2-(2-methyl-3-prop-2-enoyloxypropoxy)ethoxy]phenyl]fluoren-9-yl]phenoxy]ethoxy]propyl] prop-2-enoate
CID 59702756
2-[2-[2-[2-[2-[2-[4-[9-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]fluoren-9-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 155473515

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 3-[4-[9-[4-(3-oxo-3-prop-2-enoxypropoxy)phenyl]fluoren-9-yl]phenoxy]propanoate?
The IUPAC name of prop-2-enyl 3-[4-[9-[4-(3-oxo-3-prop-2-enoxypropoxy)phenyl]fluoren-9-yl]phenoxy]propanoate (CID 100914057) is prop-2-enyl 3-[4-[9-[4-(3-oxo-3-prop-2-enoxypropoxy)phenyl]fluoren-9-yl]phenoxy]propanoate.
What is the SMILES notation for prop-2-enyl 3-[4-[9-[4-(3-oxo-3-prop-2-enoxypropoxy)phenyl]fluoren-9-yl]phenoxy]propanoate?
The canonical SMILES for prop-2-enyl 3-[4-[9-[4-(3-oxo-3-prop-2-enoxypropoxy)phenyl]fluoren-9-yl]phenoxy]propanoate is C=CCOC(=O)CCOc1ccc(C2(c3ccc(OCCC(=O)OCC=C)cc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of prop-2-enyl 3-[4-[9-[4-(3-oxo-3-prop-2-enoxypropoxy)phenyl]fluoren-9-yl]phenoxy]propanoate?
The InChIKey is JFUJOPMWYHOLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H34O6/c1-3-23-42-35(38)21-25-40-29-17-13-27(14-18-29)37(33-11-7-5-9-31(33)32-10-6-8-12-34(32)37)28-15-19-30(20-16-28)41-26-22-36(39)43-24-4-2/h3-20H,1-2,21-26H2.
What are the key properties of prop-2-enyl 3-[4-[9-[4-(3-oxo-3-prop-2-enoxypropoxy)phenyl]fluoren-9-yl]phenoxy]propanoate?
prop-2-enyl 3-[4-[9-[4-(3-oxo-3-prop-2-enoxypropoxy)phenyl]fluoren-9-yl]phenoxy]propanoate has a molecular weight of 574.67 g/mol, XLogP of 7.05, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 3-[4-[9-[4-(3-oxo-3-prop-2-enoxypropoxy)phenyl]fluoren-9-yl]phenoxy]propanoate is sourced from PubChem (CID 100914057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).