[4-[9-[4-(3-methyl-2-oxobut-3-enoxy)phenyl]fluoren-9-yl]phenoxy]methyl 2-methylprop-2-enoate;[4-[9-[4-(2-oxobut-3-enoxy)phenyl]fluoren-9-yl]phenoxy]methyl prop-2-enoate;1-[4-[9-[4-(3-oxopent-4-en-2-yloxy)phenyl]fluoren-9-yl]phenoxy]ethyl prop-2-enoate

C103H86O15 — CID 160815028

IUPAC[4-[9-[4-(3-methyl-2-oxobut-3-enoxy)phenyl]fluoren-9-yl]phenoxy]methyl 2-methylprop-2-enoate;[4-[9-[4-(2-oxobut-3-enoxy)phenyl]fluoren-9-yl]phenoxy]methyl prop-2-enoate;1-[4-[9-[4-(3-oxopent-4-en-2-yloxy)phenyl]fluoren-9-yl]phenoxy]ethyl prop-2-enoate
SMILESC=C(C)C(=O)COc1ccc(C2(c3ccc(OCOC(=O)C(=C)C)cc3)c3ccccc3-c3ccccc32)cc1.C=CC(=O)COc1ccc(C2(c3ccc(OCOC(=O)C=C)cc3)c3ccccc3-c3ccccc32)cc1.C=CC(=O)OC(C)Oc1ccc(C2(c3ccc(OC(C)C(=O)C=C)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/2C35H30O5.C33H26O5/c1-23(2)33(36)21-38-27-17-13-25(14-18-27)35(26-15-19-28(20-16-26)39-22-40-34(37)24(3)4)31-11-7-5-9-29(31)30-10-6-8-12-32(30)35;1-5-33(36)23(3)38-27-19-15-25(16-20-27)35(26-17-21-28(22-18-26)39-24(4)40-34(37)6-2)31-13-9-7-11-29(31)30-12-8-10-14-32(30)35;1-3-25(34)21-36-26-17-13-23(14-18-26)33(24-15-19-27(20-16-24)37-22-38-32(35)4-2)30-11-7-5-9-28(30)29-10-6-8-12-31(29)33/h5-20H,1,3,21-22H2,2,4H3;5-24H,1-2H2,3-4H3;3-20H,1-2,21-22H2
InChIKeySEUDZWVXYMHIEW-UHFFFAOYSA-N
MW1563.81 g/mol
LogP20.30
Rot. Bonds30

About [4-[9-[4-(3-methyl-2-oxobut-3-enoxy)phenyl]fluoren-9-yl]phenoxy]methyl 2-methylprop-2-enoate;[4-[9-[4-(2-oxobut-3-enoxy)phenyl]fluoren-9-yl]phenoxy]methyl prop-2-enoate;1-[4-[9-[4-(3-oxopent-4-en-2-yloxy)phenyl]fluoren-9-yl]phenoxy]ethyl prop-2-enoate

[4-[9-[4-(3-methyl-2-oxobut-3-enoxy)phenyl]fluoren-9-yl]phenoxy]methyl 2-methylprop-2-enoate;[4-[9-[4-(2-oxobut-3-enoxy)phenyl]fluoren-9-yl]phenoxy]methyl prop-2-enoate;1-[4-[9-[4-(3-oxopent-4-en-2-yloxy)phenyl]fluoren-9-yl]phenoxy]ethyl prop-2-enoate (PubChem CID 160815028) has the molecular formula C103H86O15 and a molecular weight of 1563.81 g/mol. Its IUPAC name is [4-[9-[4-(3-methyl-2-oxobut-3-enoxy)phenyl]fluoren-9-yl]phenoxy]methyl 2-methylprop-2-enoate;[4-[9-[4-(2-oxobut-3-enoxy)phenyl]fluoren-9-yl]phenoxy]methyl prop-2-enoate;1-[4-[9-[4-(3-oxopent-4-en-2-yloxy)phenyl]fluoren-9-yl]phenoxy]ethyl prop-2-enoate.

Molecular Properties

Compound Name[4-[9-[4-(3-methyl-2-oxobut-3-enoxy)phenyl]fluoren-9-yl]phenoxy]methyl 2-methylprop-2-enoate;[4-[9-[4-(2-oxobut-3-enoxy)phenyl]fluoren-9-yl]phenoxy]methyl prop-2-enoate;1-[4-[9-[4-(3-oxopent-4-en-2-yloxy)phenyl]fluoren-9-yl]phenoxy]ethyl prop-2-enoate
PubChem CID160815028
Molecular FormulaC103H86O15
Molecular Weight1563.81 g/mol
Exact Mass1562.60
IUPAC Name[4-[9-[4-(3-methyl-2-oxobut-3-enoxy)phenyl]fluoren-9-yl]phenoxy]methyl 2-methylprop-2-enoate;[4-[9-[4-(2-oxobut-3-enoxy)phenyl]fluoren-9-yl]phenoxy]methyl prop-2-enoate;1-[4-[9-[4-(3-oxopent-4-en-2-yloxy)phenyl]fluoren-9-yl]phenoxy]ethyl prop-2-enoate
SMILESC=C(C)C(=O)COc1ccc(C2(c3ccc(OCOC(=O)C(=C)C)cc3)c3ccccc3-c3ccccc32)cc1.C=CC(=O)COc1ccc(C2(c3ccc(OCOC(=O)C=C)cc3)c3ccccc3-c3ccccc32)cc1.C=CC(=O)OC(C)Oc1ccc(C2(c3ccc(OC(C)C(=O)C=C)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/2C35H30O5.C33H26O5/c1-23(2)33(36)21-38-27-17-13-25(14-18-27)35(26-15-19-28(20-16-26)39-22-40-34(37)24(3)4)31-11-7-5-9-29(31)30-10-6-8-12-32(30)35;1-5-33(36)23(3)38-27-19-15-25(16-20-27)35(26-17-21-28(22-18-26)39-24(4)40-34(37)6-2)31-13-9-7-11-29(31)30-12-8-10-14-32(30)35;1-3-25(34)21-36-26-17-13-23(14-18-26)33(24-15-19-27(20-16-24)37-22-38-32(35)4-2)30-11-7-5-9-28(30)29-10-6-8-12-31(29)33/h5-20H,1,3,21-22H2,2,4H3;5-24H,1-2H2,3-4H3;3-20H,1-2,21-22H2
InChIKeySEUDZWVXYMHIEW-UHFFFAOYSA-N
XLogP20.30
TPSA185.49 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds30
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001563.81
LogP ≤ 520.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [4-[9-[4-(3-methyl-2-oxobut-3-enoxy)phenyl]fluoren-9-yl]phenoxy]methyl 2-methylprop-2-enoate;[4-[9-[4-(2-oxobut-3-enoxy)phenyl]fluoren-9-yl]phenoxy]methyl prop-2-enoate;1-[4-[9-[4-(3-oxopent-4-en-2-yloxy)phenyl]fluoren-9-yl]phenoxy]ethyl prop-2-enoate with MolForge

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Related Compounds

[4-[9-[4-(3-methyl-2-oxobut-3-enoxy)phenyl]fluoren-9-yl]phenyl] 2-methylprop-2-eneperoxoate
CID 118227614
[3-[4-[9-[4-[1,2-di(prop-2-enoyloxy)propoxy]phenyl]fluoren-9-yl]phenoxy]-2-prop-2-enoyloxypropyl] prop-2-enoate
CID 118227625
[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-[4-[9-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]phenyl]fluoren-9-yl]phenoxy]ethoxy]ethyl prop-2-enoate
CID 59702760
[(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
[4-[3-[4-[4-(3-methyl-2-oxobut-3-enoxy)phenyl]phenyl]propanoyloxy]phenoxy]methyl 2-methylprop-2-enoate;[4-[3-[4-[4-(3-methyl-2-oxobut-3-enyl)phenyl]phenyl]propanoyloxy]phenyl]methyl 2-methylprop-2-enoate;[4-[3-[4-[4-(2-oxobut-3-enoxy)phenyl]phenyl]propanoyloxy]phenyl]methyl 2-methylprop-2-enoate;[4-(prop-2-enoyloxymethoxy)phenyl] 3-[4-[4-(2-oxobut-3-enoxy)phenyl]phenyl]propanoate;[4-(prop-2-enoyloxymethyl)phenyl] 3-[4-[4-(3-methyl-2-oxobut-3-enoxy)phenyl]phenyl]propanoate;[4-(prop-2-enoyloxymethyl)phenyl] 3-[4-[4-(3-methyl-2-oxobut-3-enyl)phenyl]phenyl]propanoate;[4-(prop-2-enoyloxymethyl)phenyl] 3-[4-[4-(2-oxobut-3-enyl)phenyl]phenyl]propanoate
CID 162010272
9,9-bis[4-(2-methylprop-2-enoxy)phenyl]fluorene
CID 18704292
[3-[4-[9-[4-[2,3-bis(2-methylprop-2-enoyloxy)prop-1-enoxy]phenyl]fluoren-9-yl]phenoxy]-2-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate
CID 76556549
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
1-[1-[4-[9-[4-[1-[1-(2-hydroxyprop-2-enoyloxy)propoxy]ethoxy]phenyl]fluoren-9-yl]phenoxy]ethoxy]propyl 2-hydroxyprop-2-enoate
CID 68789393
2-[4-[7-[4-(2-prop-2-enoyloxyethoxy)phenyl]benzo[a]phenalen-7-yl]phenoxy]ethyl prop-2-enoate
CID 118230473

Frequently Asked Questions

What is the IUPAC name of [4-[9-[4-(3-methyl-2-oxobut-3-enoxy)phenyl]fluoren-9-yl]phenoxy]methyl 2-methylprop-2-enoate;[4-[9-[4-(2-oxobut-3-enoxy)phenyl]fluoren-9-yl]phenoxy]methyl prop-2-enoate;1-[4-[9-[4-(3-oxopent-4-en-2-yloxy)phenyl]fluoren-9-yl]phenoxy]ethyl prop-2-enoate?
The IUPAC name of [4-[9-[4-(3-methyl-2-oxobut-3-enoxy)phenyl]fluoren-9-yl]phenoxy]methyl 2-methylprop-2-enoate;[4-[9-[4-(2-oxobut-3-enoxy)phenyl]fluoren-9-yl]phenoxy]methyl prop-2-enoate;1-[4-[9-[4-(3-oxopent-4-en-2-yloxy)phenyl]fluoren-9-yl]phenoxy]ethyl prop-2-enoate (CID 160815028) is [4-[9-[4-(3-methyl-2-oxobut-3-enoxy)phenyl]fluoren-9-yl]phenoxy]methyl 2-methylprop-2-enoate;[4-[9-[4-(2-oxobut-3-enoxy)phenyl]fluoren-9-yl]phenoxy]methyl prop-2-enoate;1-[4-[9-[4-(3-oxopent-4-en-2-yloxy)phenyl]fluoren-9-yl]phenoxy]ethyl prop-2-enoate.
What is the SMILES notation for [4-[9-[4-(3-methyl-2-oxobut-3-enoxy)phenyl]fluoren-9-yl]phenoxy]methyl 2-methylprop-2-enoate;[4-[9-[4-(2-oxobut-3-enoxy)phenyl]fluoren-9-yl]phenoxy]methyl prop-2-enoate;1-[4-[9-[4-(3-oxopent-4-en-2-yloxy)phenyl]fluoren-9-yl]phenoxy]ethyl prop-2-enoate?
The canonical SMILES for [4-[9-[4-(3-methyl-2-oxobut-3-enoxy)phenyl]fluoren-9-yl]phenoxy]methyl 2-methylprop-2-enoate;[4-[9-[4-(2-oxobut-3-enoxy)phenyl]fluoren-9-yl]phenoxy]methyl prop-2-enoate;1-[4-[9-[4-(3-oxopent-4-en-2-yloxy)phenyl]fluoren-9-yl]phenoxy]ethyl prop-2-enoate is C=C(C)C(=O)COc1ccc(C2(c3ccc(OCOC(=O)C(=C)C)cc3)c3ccccc3-c3ccccc32)cc1.C=CC(=O)COc1ccc(C2(c3ccc(OCOC(=O)C=C)cc3)c3ccccc3-c3ccccc32)cc1.C=CC(=O)OC(C)Oc1ccc(C2(c3ccc(OC(C)C(=O)C=C)cc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of [4-[9-[4-(3-methyl-2-oxobut-3-enoxy)phenyl]fluoren-9-yl]phenoxy]methyl 2-methylprop-2-enoate;[4-[9-[4-(2-oxobut-3-enoxy)phenyl]fluoren-9-yl]phenoxy]methyl prop-2-enoate;1-[4-[9-[4-(3-oxopent-4-en-2-yloxy)phenyl]fluoren-9-yl]phenoxy]ethyl prop-2-enoate?
The InChIKey is SEUDZWVXYMHIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C35H30O5.C33H26O5/c1-23(2)33(36)21-38-27-17-13-25(14-18-27)35(26-15-19-28(20-16-26)39-22-40-34(37)24(3)4)31-11-7-5-9-29(31)30-10-6-8-12-32(30)35;1-5-33(36)23(3)38-27-19-15-25(16-20-27)35(26-17-21-28(22-18-26)39-24(4)40-34(37)6-2)31-13-9-7-11-29(31)30-12-8-10-14-32(30)35;1-3-25(34)21-36-26-17-13-23(14-18-26)33(24-15-19-27(20-16-24)37-22-38-32(35)4-2)30-11-7-5-9-28(30)29-10-6-8-12-31(29)33/h5-20H,1,3,21-22H2,2,4H3;5-24H,1-2H2,3-4H3;3-20H,1-2,21-22H2.
What are the key properties of [4-[9-[4-(3-methyl-2-oxobut-3-enoxy)phenyl]fluoren-9-yl]phenoxy]methyl 2-methylprop-2-enoate;[4-[9-[4-(2-oxobut-3-enoxy)phenyl]fluoren-9-yl]phenoxy]methyl prop-2-enoate;1-[4-[9-[4-(3-oxopent-4-en-2-yloxy)phenyl]fluoren-9-yl]phenoxy]ethyl prop-2-enoate?
[4-[9-[4-(3-methyl-2-oxobut-3-enoxy)phenyl]fluoren-9-yl]phenoxy]methyl 2-methylprop-2-enoate;[4-[9-[4-(2-oxobut-3-enoxy)phenyl]fluoren-9-yl]phenoxy]methyl prop-2-enoate;1-[4-[9-[4-(3-oxopent-4-en-2-yloxy)phenyl]fluoren-9-yl]phenoxy]ethyl prop-2-enoate has a molecular weight of 1563.81 g/mol, XLogP of 20.30, 30 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[9-[4-(3-methyl-2-oxobut-3-enoxy)phenyl]fluoren-9-yl]phenoxy]methyl 2-methylprop-2-enoate;[4-[9-[4-(2-oxobut-3-enoxy)phenyl]fluoren-9-yl]phenoxy]methyl prop-2-enoate;1-[4-[9-[4-(3-oxopent-4-en-2-yloxy)phenyl]fluoren-9-yl]phenoxy]ethyl prop-2-enoate is sourced from PubChem (CID 160815028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).