(7-ethenyl-9-methylidenefluoren-2-yl) 2-methylprop-2-enoate;(9-methylidenefluoren-2-yl) 2-methylprop-2-enoate

C38H30O4 — CID 165004758

IUPAC(7-ethenyl-9-methylidenefluoren-2-yl) 2-methylprop-2-enoate;(9-methylidenefluoren-2-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc2c(c1)C(=C)c1ccccc1-2.C=Cc1ccc2c(c1)C(=C)c1cc(OC(=O)C(=C)C)ccc1-2
InChIInChI=1S/C20H16O2.C18H14O2/c1-5-14-6-8-16-17-9-7-15(22-20(21)12(2)3)11-19(17)13(4)18(16)10-14;1-11(2)18(19)20-13-8-9-16-15-7-5-4-6-14(15)12(3)17(16)10-13/h5-11H,1-2,4H2,3H3;4-10H,1,3H2,2H3
InChIKeyIUERSRPDZURHFD-UHFFFAOYSA-N
MW550.65 g/mol
LogP9.06
Rot. Bonds5

About (7-ethenyl-9-methylidenefluoren-2-yl) 2-methylprop-2-enoate;(9-methylidenefluoren-2-yl) 2-methylprop-2-enoate

(7-ethenyl-9-methylidenefluoren-2-yl) 2-methylprop-2-enoate;(9-methylidenefluoren-2-yl) 2-methylprop-2-enoate (PubChem CID 165004758) has the molecular formula C38H30O4 and a molecular weight of 550.65 g/mol. Its IUPAC name is (7-ethenyl-9-methylidenefluoren-2-yl) 2-methylprop-2-enoate;(9-methylidenefluoren-2-yl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(7-ethenyl-9-methylidenefluoren-2-yl) 2-methylprop-2-enoate;(9-methylidenefluoren-2-yl) 2-methylprop-2-enoate
PubChem CID165004758
Molecular FormulaC38H30O4
Molecular Weight550.65 g/mol
Exact Mass550.21
IUPAC Name(7-ethenyl-9-methylidenefluoren-2-yl) 2-methylprop-2-enoate;(9-methylidenefluoren-2-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc2c(c1)C(=C)c1ccccc1-2.C=Cc1ccc2c(c1)C(=C)c1cc(OC(=O)C(=C)C)ccc1-2
InChIInChI=1S/C20H16O2.C18H14O2/c1-5-14-6-8-16-17-9-7-15(22-20(21)12(2)3)11-19(17)13(4)18(16)10-14;1-11(2)18(19)20-13-8-9-16-15-7-5-4-6-14(15)12(3)17(16)10-13/h5-11H,1-2,4H2,3H3;4-10H,1,3H2,2H3
InChIKeyIUERSRPDZURHFD-UHFFFAOYSA-N
XLogP9.06
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.65
LogP ≤ 59.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-(4-ethenylphenyl)phenyl] 2-methylprop-2-enoate
CID 90249392
phenyl 2-methylprop-2-enoate;styrene
CID 22227486
[3-fluoro-4-[7-[2-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]-9-methylidenefluoren-2-yl]phenyl] 2-methylprop-2-enoate
CID 154680109
[4-(2-phenylethenyl)phenyl] 2-methylprop-2-enoate
CID 54432121
(4-acetyloxy-3-ethenylphenyl) 2-methylprop-2-enoate
CID 118696254
[3-(1,3-dioxoisoindol-2-yl)phenyl] 2-methylprop-2-enoate
CID 3839214
(4-ethenylphenyl) 2-oxopropanoate
CID 67863949
[4-[3-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]prop-2-enoyloxy]phenyl] 2-methylprop-2-enoate
CID 123192484
phenyl 2-methylprop-2-enoate;phenyl prop-2-enoate
CID 20561455
[3-[4-[3-(2-methylprop-2-enoyloxy)phenoxy]phenoxy]phenyl] 2-methylprop-2-enoate
CID 59739192
[3-(2-methylprop-2-enoyloxy)-5-[(E)-2-phenylethenyl]phenyl] 2-methylprop-2-enoate
CID 155004792
[3-[(E)-2-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]ethenyl]phenyl] 2-methylprop-2-enoate
CID 155004805

Frequently Asked Questions

What is the IUPAC name of (7-ethenyl-9-methylidenefluoren-2-yl) 2-methylprop-2-enoate;(9-methylidenefluoren-2-yl) 2-methylprop-2-enoate?
The IUPAC name of (7-ethenyl-9-methylidenefluoren-2-yl) 2-methylprop-2-enoate;(9-methylidenefluoren-2-yl) 2-methylprop-2-enoate (CID 165004758) is (7-ethenyl-9-methylidenefluoren-2-yl) 2-methylprop-2-enoate;(9-methylidenefluoren-2-yl) 2-methylprop-2-enoate.
What is the SMILES notation for (7-ethenyl-9-methylidenefluoren-2-yl) 2-methylprop-2-enoate;(9-methylidenefluoren-2-yl) 2-methylprop-2-enoate?
The canonical SMILES for (7-ethenyl-9-methylidenefluoren-2-yl) 2-methylprop-2-enoate;(9-methylidenefluoren-2-yl) 2-methylprop-2-enoate is C=C(C)C(=O)Oc1ccc2c(c1)C(=C)c1ccccc1-2.C=Cc1ccc2c(c1)C(=C)c1cc(OC(=O)C(=C)C)ccc1-2.
What is the InChIKey of (7-ethenyl-9-methylidenefluoren-2-yl) 2-methylprop-2-enoate;(9-methylidenefluoren-2-yl) 2-methylprop-2-enoate?
The InChIKey is IUERSRPDZURHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O2.C18H14O2/c1-5-14-6-8-16-17-9-7-15(22-20(21)12(2)3)11-19(17)13(4)18(16)10-14;1-11(2)18(19)20-13-8-9-16-15-7-5-4-6-14(15)12(3)17(16)10-13/h5-11H,1-2,4H2,3H3;4-10H,1,3H2,2H3.
What are the key properties of (7-ethenyl-9-methylidenefluoren-2-yl) 2-methylprop-2-enoate;(9-methylidenefluoren-2-yl) 2-methylprop-2-enoate?
(7-ethenyl-9-methylidenefluoren-2-yl) 2-methylprop-2-enoate;(9-methylidenefluoren-2-yl) 2-methylprop-2-enoate has a molecular weight of 550.65 g/mol, XLogP of 9.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-ethenyl-9-methylidenefluoren-2-yl) 2-methylprop-2-enoate;(9-methylidenefluoren-2-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 165004758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).