[4-[9-(4-prop-2-enoyloxyphenyl)fluoren-9-yl]phenyl] prop-2-enoate

C31H22O4 — CID 54346721

IUPAC[4-[9-(4-prop-2-enoyloxyphenyl)fluoren-9-yl]phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc(C2(c3ccc(OC(=O)C=C)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C31H22O4/c1-3-29(32)34-23-17-13-21(14-18-23)31(22-15-19-24(20-16-22)35-30(33)4-2)27-11-7-5-9-25(27)26-10-6-8-12-28(26)31/h3-20H,1-2H2
InChIKeyUCUNYTRWYMRMKT-UHFFFAOYSA-N
MW458.51 g/mol
LogP6.23
Rot. Bonds6

About [4-[9-(4-prop-2-enoyloxyphenyl)fluoren-9-yl]phenyl] prop-2-enoate

[4-[9-(4-prop-2-enoyloxyphenyl)fluoren-9-yl]phenyl] prop-2-enoate (PubChem CID 54346721) has the molecular formula C31H22O4 and a molecular weight of 458.51 g/mol. Its IUPAC name is [4-[9-(4-prop-2-enoyloxyphenyl)fluoren-9-yl]phenyl] prop-2-enoate.

Molecular Properties

Compound Name[4-[9-(4-prop-2-enoyloxyphenyl)fluoren-9-yl]phenyl] prop-2-enoate
PubChem CID54346721
Molecular FormulaC31H22O4
Molecular Weight458.51 g/mol
Exact Mass458.15
IUPAC Name[4-[9-(4-prop-2-enoyloxyphenyl)fluoren-9-yl]phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc(C2(c3ccc(OC(=O)C=C)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C31H22O4/c1-3-29(32)34-23-17-13-21(14-18-23)31(22-15-19-24(20-16-22)35-30(33)4-2)27-11-7-5-9-25(27)26-10-6-8-12-28(26)31/h3-20H,1-2H2
InChIKeyUCUNYTRWYMRMKT-UHFFFAOYSA-N
XLogP6.23
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.51
LogP ≤ 56.23
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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Frequently Asked Questions

What is the IUPAC name of [4-[9-(4-prop-2-enoyloxyphenyl)fluoren-9-yl]phenyl] prop-2-enoate?
The IUPAC name of [4-[9-(4-prop-2-enoyloxyphenyl)fluoren-9-yl]phenyl] prop-2-enoate (CID 54346721) is [4-[9-(4-prop-2-enoyloxyphenyl)fluoren-9-yl]phenyl] prop-2-enoate.
What is the SMILES notation for [4-[9-(4-prop-2-enoyloxyphenyl)fluoren-9-yl]phenyl] prop-2-enoate?
The canonical SMILES for [4-[9-(4-prop-2-enoyloxyphenyl)fluoren-9-yl]phenyl] prop-2-enoate is C=CC(=O)Oc1ccc(C2(c3ccc(OC(=O)C=C)cc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of [4-[9-(4-prop-2-enoyloxyphenyl)fluoren-9-yl]phenyl] prop-2-enoate?
The InChIKey is UCUNYTRWYMRMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22O4/c1-3-29(32)34-23-17-13-21(14-18-23)31(22-15-19-24(20-16-22)35-30(33)4-2)27-11-7-5-9-25(27)26-10-6-8-12-28(26)31/h3-20H,1-2H2.
What are the key properties of [4-[9-(4-prop-2-enoyloxyphenyl)fluoren-9-yl]phenyl] prop-2-enoate?
[4-[9-(4-prop-2-enoyloxyphenyl)fluoren-9-yl]phenyl] prop-2-enoate has a molecular weight of 458.51 g/mol, XLogP of 6.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[9-(4-prop-2-enoyloxyphenyl)fluoren-9-yl]phenyl] prop-2-enoate is sourced from PubChem (CID 54346721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).