3-[[6-(7-propyl-9H-fluoren-2-yl)-3-pyridinyl]oxy]propyl prop-2-enoate

C27H27NO3 — CID 23527490

IUPAC3-[[6-(7-propyl-9H-fluoren-2-yl)-3-pyridinyl]oxy]propyl prop-2-enoate
SMILESC=CC(=O)OCCCOc1ccc(-c2ccc3c(c2)Cc2cc(CCC)ccc2-3)nc1
InChIInChI=1S/C27H27NO3/c1-3-6-19-7-10-24-21(15-19)17-22-16-20(8-11-25(22)24)26-12-9-23(18-28-26)30-13-5-14-31-27(29)4-2/h4,7-12,15-16,18H,2-3,5-6,13-14,17H2,1H3
InChIKeyBYCOPYZSDVALHT-UHFFFAOYSA-N
MW413.52 g/mol
LogP5.77
Rot. Bonds9

About 3-[[6-(7-propyl-9H-fluoren-2-yl)-3-pyridinyl]oxy]propyl prop-2-enoate

3-[[6-(7-propyl-9H-fluoren-2-yl)-3-pyridinyl]oxy]propyl prop-2-enoate (PubChem CID 23527490) has the molecular formula C27H27NO3 and a molecular weight of 413.52 g/mol. Its IUPAC name is 3-[[6-(7-propyl-9H-fluoren-2-yl)-3-pyridinyl]oxy]propyl prop-2-enoate.

Molecular Properties

Compound Name3-[[6-(7-propyl-9H-fluoren-2-yl)-3-pyridinyl]oxy]propyl prop-2-enoate
PubChem CID23527490
Molecular FormulaC27H27NO3
Molecular Weight413.52 g/mol
Exact Mass413.20
IUPAC Name3-[[6-(7-propyl-9H-fluoren-2-yl)-3-pyridinyl]oxy]propyl prop-2-enoate
SMILESC=CC(=O)OCCCOc1ccc(-c2ccc3c(c2)Cc2cc(CCC)ccc2-3)nc1
InChIInChI=1S/C27H27NO3/c1-3-6-19-7-10-24-21(15-19)17-22-16-20(8-11-25(22)24)26-12-9-23(18-28-26)30-13-5-14-31-27(29)4-2/h4,7-12,15-16,18H,2-3,5-6,13-14,17H2,1H3
InChIKeyBYCOPYZSDVALHT-UHFFFAOYSA-N
XLogP5.77
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.52
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[6-(7-propyl-9H-fluoren-2-yl)-3-pyridinyl]oxy]propyl prop-2-enoate?
The IUPAC name of 3-[[6-(7-propyl-9H-fluoren-2-yl)-3-pyridinyl]oxy]propyl prop-2-enoate (CID 23527490) is 3-[[6-(7-propyl-9H-fluoren-2-yl)-3-pyridinyl]oxy]propyl prop-2-enoate.
What is the SMILES notation for 3-[[6-(7-propyl-9H-fluoren-2-yl)-3-pyridinyl]oxy]propyl prop-2-enoate?
The canonical SMILES for 3-[[6-(7-propyl-9H-fluoren-2-yl)-3-pyridinyl]oxy]propyl prop-2-enoate is C=CC(=O)OCCCOc1ccc(-c2ccc3c(c2)Cc2cc(CCC)ccc2-3)nc1.
What is the InChIKey of 3-[[6-(7-propyl-9H-fluoren-2-yl)-3-pyridinyl]oxy]propyl prop-2-enoate?
The InChIKey is BYCOPYZSDVALHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27NO3/c1-3-6-19-7-10-24-21(15-19)17-22-16-20(8-11-25(22)24)26-12-9-23(18-28-26)30-13-5-14-31-27(29)4-2/h4,7-12,15-16,18H,2-3,5-6,13-14,17H2,1H3.
What are the key properties of 3-[[6-(7-propyl-9H-fluoren-2-yl)-3-pyridinyl]oxy]propyl prop-2-enoate?
3-[[6-(7-propyl-9H-fluoren-2-yl)-3-pyridinyl]oxy]propyl prop-2-enoate has a molecular weight of 413.52 g/mol, XLogP of 5.77, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(7-propyl-9H-fluoren-2-yl)-3-pyridinyl]oxy]propyl prop-2-enoate is sourced from PubChem (CID 23527490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).