[1-(2-methoxyphenyl)-9H-fluoren-2-yl] prop-2-enoate

C23H18O3 — CID 174954088

IUPAC[1-(2-methoxyphenyl)-9H-fluoren-2-yl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc2c(c1-c1ccccc1OC)Cc1ccccc1-2
InChIInChI=1S/C23H18O3/c1-3-22(24)26-21-13-12-17-16-9-5-4-8-15(16)14-19(17)23(21)18-10-6-7-11-20(18)25-2/h3-13H,1,14H2,2H3
InChIKeyLTBRBZPAIDPOGA-UHFFFAOYSA-N
MW342.39 g/mol
LogP5.02
Rot. Bonds4

About [1-(2-methoxyphenyl)-9H-fluoren-2-yl] prop-2-enoate

[1-(2-methoxyphenyl)-9H-fluoren-2-yl] prop-2-enoate (PubChem CID 174954088) has the molecular formula C23H18O3 and a molecular weight of 342.39 g/mol. Its IUPAC name is [1-(2-methoxyphenyl)-9H-fluoren-2-yl] prop-2-enoate.

Molecular Properties

Compound Name[1-(2-methoxyphenyl)-9H-fluoren-2-yl] prop-2-enoate
PubChem CID174954088
Molecular FormulaC23H18O3
Molecular Weight342.39 g/mol
Exact Mass342.13
IUPAC Name[1-(2-methoxyphenyl)-9H-fluoren-2-yl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc2c(c1-c1ccccc1OC)Cc1ccccc1-2
InChIInChI=1S/C23H18O3/c1-3-22(24)26-21-13-12-17-16-9-5-4-8-15(16)14-19(17)23(21)18-10-6-7-11-20(18)25-2/h3-13H,1,14H2,2H3
InChIKeyLTBRBZPAIDPOGA-UHFFFAOYSA-N
XLogP5.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.39
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 [1-(2-methoxyphenyl)-9H-fluoren-2-yl] prop-2-enoate?
The IUPAC name of [1-(2-methoxyphenyl)-9H-fluoren-2-yl] prop-2-enoate (CID 174954088) is [1-(2-methoxyphenyl)-9H-fluoren-2-yl] prop-2-enoate.
What is the SMILES notation for [1-(2-methoxyphenyl)-9H-fluoren-2-yl] prop-2-enoate?
The canonical SMILES for [1-(2-methoxyphenyl)-9H-fluoren-2-yl] prop-2-enoate is C=CC(=O)Oc1ccc2c(c1-c1ccccc1OC)Cc1ccccc1-2.
What is the InChIKey of [1-(2-methoxyphenyl)-9H-fluoren-2-yl] prop-2-enoate?
The InChIKey is LTBRBZPAIDPOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18O3/c1-3-22(24)26-21-13-12-17-16-9-5-4-8-15(16)14-19(17)23(21)18-10-6-7-11-20(18)25-2/h3-13H,1,14H2,2H3.
What are the key properties of [1-(2-methoxyphenyl)-9H-fluoren-2-yl] prop-2-enoate?
[1-(2-methoxyphenyl)-9H-fluoren-2-yl] prop-2-enoate has a molecular weight of 342.39 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyphenyl)-9H-fluoren-2-yl] prop-2-enoate is sourced from PubChem (CID 174954088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).