1-(9H-fluoren-1-yloxymethoxyphosphanyl)prop-2-en-1-one

C17H15O3P — CID 151239971

IUPAC1-(9H-fluoren-1-yloxymethoxyphosphanyl)prop-2-en-1-one
SMILESC=CC(=O)POCOc1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C17H15O3P/c1-2-17(18)21-20-11-19-16-9-5-8-14-13-7-4-3-6-12(13)10-15(14)16/h2-9,21H,1,10-11H2
InChIKeyNQCCMRIGZYLBTC-UHFFFAOYSA-N
MW298.28 g/mol
LogP3.92
Rot. Bonds6

About 1-(9H-fluoren-1-yloxymethoxyphosphanyl)prop-2-en-1-one

1-(9H-fluoren-1-yloxymethoxyphosphanyl)prop-2-en-1-one (PubChem CID 151239971) has the molecular formula C17H15O3P and a molecular weight of 298.28 g/mol. Its IUPAC name is 1-(9H-fluoren-1-yloxymethoxyphosphanyl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(9H-fluoren-1-yloxymethoxyphosphanyl)prop-2-en-1-one
PubChem CID151239971
Molecular FormulaC17H15O3P
Molecular Weight298.28 g/mol
Exact Mass298.08
IUPAC Name1-(9H-fluoren-1-yloxymethoxyphosphanyl)prop-2-en-1-one
SMILESC=CC(=O)POCOc1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C17H15O3P/c1-2-17(18)21-20-11-19-16-9-5-8-14-13-7-4-3-6-12(13)10-15(14)16/h2-9,21H,1,10-11H2
InChIKeyNQCCMRIGZYLBTC-UHFFFAOYSA-N
XLogP3.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.28
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(9H-fluoren-1-yloxy)acetaldehyde
CID 87173259
1-(2-ethenylbut-3-enoxy)-9H-fluorene
CID 68787919
2-[2-(9H-fluoren-1-yloxy)ethyl]-2-prop-2-enoylbutanedioic acid
CID 151615577
acetic acid;1-(9H-fluoren-1-yloxy)-9H-fluorene
CID 162313144
9H-fluoren-1-yloxy-hydroxy-oxophosphanium
CID 172827585
9H-fluoren-1-yl carbonochloridate
CID 57317054
9H-fluoren-1-yl 4-hydroxybenzoate
CID 153455636
1-ethyl-9H-fluorene;prop-2-enoic acid
CID 175512160
bis(9H-fluoren-1-yl) (2R,3R)-2,3-dihydroxybutanedioate
CID 101363551
1-(2-phenylethoxy)-9H-fluorene
CID 151682362
(1-prop-2-enoyloxy-9H-fluoren-2-yl) prop-2-enoate
CID 135397828
1-(9H-fluoren-1-yl)prop-2-en-1-one;styrene
CID 162095077

Frequently Asked Questions

What is the IUPAC name of 1-(9H-fluoren-1-yloxymethoxyphosphanyl)prop-2-en-1-one?
The IUPAC name of 1-(9H-fluoren-1-yloxymethoxyphosphanyl)prop-2-en-1-one (CID 151239971) is 1-(9H-fluoren-1-yloxymethoxyphosphanyl)prop-2-en-1-one.
What is the SMILES notation for 1-(9H-fluoren-1-yloxymethoxyphosphanyl)prop-2-en-1-one?
The canonical SMILES for 1-(9H-fluoren-1-yloxymethoxyphosphanyl)prop-2-en-1-one is C=CC(=O)POCOc1cccc2c1Cc1ccccc1-2.
What is the InChIKey of 1-(9H-fluoren-1-yloxymethoxyphosphanyl)prop-2-en-1-one?
The InChIKey is NQCCMRIGZYLBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15O3P/c1-2-17(18)21-20-11-19-16-9-5-8-14-13-7-4-3-6-12(13)10-15(14)16/h2-9,21H,1,10-11H2.
What are the key properties of 1-(9H-fluoren-1-yloxymethoxyphosphanyl)prop-2-en-1-one?
1-(9H-fluoren-1-yloxymethoxyphosphanyl)prop-2-en-1-one has a molecular weight of 298.28 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9H-fluoren-1-yloxymethoxyphosphanyl)prop-2-en-1-one is sourced from PubChem (CID 151239971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).