1-(9H-fluoren-1-yl)prop-2-en-1-one;styrene

C24H20O — CID 162095077

IUPAC1-(9H-fluoren-1-yl)prop-2-en-1-one;styrene
SMILESC=CC(=O)c1cccc2c1Cc1ccccc1-2.C=Cc1ccccc1
InChIInChI=1S/C16H12O.C8H8/c1-2-16(17)14-9-5-8-13-12-7-4-3-6-11(12)10-15(13)14;1-2-8-6-4-3-5-7-8/h2-9H,1,10H2;2-7H,1H2
InChIKeyZEDFVCADXVBQTR-UHFFFAOYSA-N
MW324.42 g/mol
LogP5.96
Rot. Bonds3

About 1-(9H-fluoren-1-yl)prop-2-en-1-one;styrene

1-(9H-fluoren-1-yl)prop-2-en-1-one;styrene (PubChem CID 162095077) has the molecular formula C24H20O and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-(9H-fluoren-1-yl)prop-2-en-1-one;styrene.

Molecular Properties

Compound Name1-(9H-fluoren-1-yl)prop-2-en-1-one;styrene
PubChem CID162095077
Molecular FormulaC24H20O
Molecular Weight324.42 g/mol
Exact Mass324.15
IUPAC Name1-(9H-fluoren-1-yl)prop-2-en-1-one;styrene
SMILESC=CC(=O)c1cccc2c1Cc1ccccc1-2.C=Cc1ccccc1
InChIInChI=1S/C16H12O.C8H8/c1-2-16(17)14-9-5-8-13-12-7-4-3-6-11(12)10-15(13)14;1-2-8-6-4-3-5-7-8/h2-9H,1,10H2;2-7H,1H2
InChIKeyZEDFVCADXVBQTR-UHFFFAOYSA-N
XLogP5.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.42
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[9H-fluoren-1-yl(methoxy)phosphoryl]phenyl]prop-2-en-1-one
CID 152566854
9H-fluorene-1-carboxamide
CID 18474131
bis(9H-fluorene);bis(prop-2-enoic acid)
CID 175756220
9H-fluorene;bis(prop-2-enoic acid)
CID 159231151
1-(1-phenylethenyl)-9H-fluorene
CID 151698887
1-ethyl-9H-fluorene;prop-2-enoic acid
CID 175512160
2-(9H-fluoren-1-yl)hex-2-enoic acid
CID 150307642
1-(9H-fluoren-1-yl)-2-methylprop-2-en-1-one;hydrate
CID 172842462
benzyl 9H-fluorene-1-carboxylate
CID 148546959
2-(9H-fluoren-1-yl)-5-phenoxypent-2-enoic acid
CID 150361087
9H-fluorene-1-carboxylic acid;9H-fluorene-2,7-dicarboxylic acid
CID 158991215
4-oxo-4-[2-[(2-prop-2-enoyl-9H-fluoren-1-yl)oxy]ethoxy]butanoic acid
CID 152629912

Frequently Asked Questions

What is the IUPAC name of 1-(9H-fluoren-1-yl)prop-2-en-1-one;styrene?
The IUPAC name of 1-(9H-fluoren-1-yl)prop-2-en-1-one;styrene (CID 162095077) is 1-(9H-fluoren-1-yl)prop-2-en-1-one;styrene.
What is the SMILES notation for 1-(9H-fluoren-1-yl)prop-2-en-1-one;styrene?
The canonical SMILES for 1-(9H-fluoren-1-yl)prop-2-en-1-one;styrene is C=CC(=O)c1cccc2c1Cc1ccccc1-2.C=Cc1ccccc1.
What is the InChIKey of 1-(9H-fluoren-1-yl)prop-2-en-1-one;styrene?
The InChIKey is ZEDFVCADXVBQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O.C8H8/c1-2-16(17)14-9-5-8-13-12-7-4-3-6-11(12)10-15(13)14;1-2-8-6-4-3-5-7-8/h2-9H,1,10H2;2-7H,1H2.
What are the key properties of 1-(9H-fluoren-1-yl)prop-2-en-1-one;styrene?
1-(9H-fluoren-1-yl)prop-2-en-1-one;styrene has a molecular weight of 324.42 g/mol, XLogP of 5.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9H-fluoren-1-yl)prop-2-en-1-one;styrene is sourced from PubChem (CID 162095077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).