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

C67H58O11 — CID 160842245

IUPAC2-[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
SMILESC=CC(=O)OCCOc1ccc(C2(c3ccc(OCCO)cc3)c3ccccc3-c3ccccc32)cc1.C=CC(=O)OCCOc1ccc(C2(c3ccc(OCCOC(=O)C=C)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C35H30O6.C32H28O5/c1-3-33(36)40-23-21-38-27-17-13-25(14-18-27)35(26-15-19-28(20-16-26)39-22-24-41-34(37)4-2)31-11-7-5-9-29(31)30-10-6-8-12-32(30)35;1-2-31(34)37-22-21-36-26-17-13-24(14-18-26)32(23-11-15-25(16-12-23)35-20-19-33)29-9-5-3-7-27(29)28-8-4-6-10-30(28)32/h3-20H,1-2,21-24H2;2-18,33H,1,19-22H2
InChIKeySIEJMRWUBAKZQB-UHFFFAOYSA-N
MW1039.19 g/mol
LogP11.79
Rot. Bonds22

About 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

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 (PubChem CID 160842245) has the molecular formula C67H58O11 and a molecular weight of 1039.19 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID160842245
Molecular FormulaC67H58O11
Molecular Weight1039.19 g/mol
Exact Mass1038.40
IUPAC Name2-[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
SMILESC=CC(=O)OCCOc1ccc(C2(c3ccc(OCCO)cc3)c3ccccc3-c3ccccc32)cc1.C=CC(=O)OCCOc1ccc(C2(c3ccc(OCCOC(=O)C=C)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C35H30O6.C32H28O5/c1-3-33(36)40-23-21-38-27-17-13-25(14-18-27)35(26-15-19-28(20-16-26)39-22-24-41-34(37)4-2)31-11-7-5-9-29(31)30-10-6-8-12-32(30)35;1-2-31(34)37-22-21-36-26-17-13-24(14-18-26)32(23-11-15-25(16-12-23)35-20-19-33)29-9-5-3-7-27(29)28-8-4-6-10-30(28)32/h3-20H,1-2,21-24H2;2-18,33H,1,19-22H2
InChIKeySIEJMRWUBAKZQB-UHFFFAOYSA-N
XLogP11.79
TPSA136.05 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds22
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001039.19
LogP ≤ 511.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

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-[7-[4-(2-prop-2-enoyloxyethoxy)phenyl]benzo[a]phenalen-7-yl]phenoxy]ethyl prop-2-enoate
CID 118230473
2-[4-[3-ethynyl-1-[4-(2-hydroxyethoxy)phenyl]-2-[(Z)-prop-1-enyl]inden-1-yl]phenoxy]ethyl prop-2-enoate
CID 170291298
2-[4-[11-[4-(2-prop-2-enoyloxyethoxy)phenyl]indeno[1,2-b]quinolin-11-yl]phenoxy]ethyl prop-2-enoate
CID 165377878
2-[4-[9-[4-(2-prop-2-enoyloxyethyl)phenyl]fluoren-9-yl]phenyl]ethyl prop-2-enoate
CID 134346927
[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-[4-[9-[3,5-diphenyl-4-(2-prop-2-enoyloxyethoxy)phenyl]fluoren-9-yl]-2,6-diphenylphenoxy]ethyl prop-2-enoate
CID 163736073
2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl hypoiodite
CID 163468079
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
[(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-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl dihydrogen phosphate
CID 71033273
prop-2-enyl 3-[4-[9-[4-(3-oxo-3-prop-2-enoxypropoxy)phenyl]fluoren-9-yl]phenoxy]propanoate
CID 100914057

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=CC(=O)OCCOc1ccc(C2(c3ccc(OCCO)cc3)c3ccccc3-c3ccccc32)cc1.C=CC(=O)OCCOc1ccc(C2(c3ccc(OCCOC(=O)C=C)cc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 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?
The InChIKey is SIEJMRWUBAKZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H30O6.C32H28O5/c1-3-33(36)40-23-21-38-27-17-13-25(14-18-27)35(26-15-19-28(20-16-26)39-22-24-41-34(37)4-2)31-11-7-5-9-29(31)30-10-6-8-12-32(30)35;1-2-31(34)37-22-21-36-26-17-13-24(14-18-26)32(23-11-15-25(16-12-23)35-20-19-33)29-9-5-3-7-27(29)28-8-4-6-10-30(28)32/h3-20H,1-2,21-24H2;2-18,33H,1,19-22H2.
What are the key properties of 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?
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 has a molecular weight of 1039.19 g/mol, XLogP of 11.79, 22 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160842245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).