(E)-3-(4-chlorophenyl)-1-(9H-fluoren-9-yl)prop-2-en-1-one

C22H15ClO — CID 101015149

IUPAC(E)-3-(4-chlorophenyl)-1-(9H-fluoren-9-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccc(Cl)cc1)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H15ClO/c23-16-12-9-15(10-13-16)11-14-21(24)22-19-7-3-1-5-17(19)18-6-2-4-8-20(18)22/h1-14,22H/b14-11+
InChIKeyFXJPOALGYHUMNO-SDNWHVSQSA-N
MW330.81 g/mol
LogP5.73
Rot. Bonds3

About (E)-3-(4-chlorophenyl)-1-(9H-fluoren-9-yl)prop-2-en-1-one

(E)-3-(4-chlorophenyl)-1-(9H-fluoren-9-yl)prop-2-en-1-one (PubChem CID 101015149) has the molecular formula C22H15ClO and a molecular weight of 330.81 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-1-(9H-fluoren-9-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-1-(9H-fluoren-9-yl)prop-2-en-1-one
PubChem CID101015149
Molecular FormulaC22H15ClO
Molecular Weight330.81 g/mol
Exact Mass330.08
IUPAC Name(E)-3-(4-chlorophenyl)-1-(9H-fluoren-9-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccc(Cl)cc1)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H15ClO/c23-16-12-9-15(10-13-16)11-14-21(24)22-19-7-3-1-5-17(19)18-6-2-4-8-20(18)22/h1-14,22H/b14-11+
InChIKeyFXJPOALGYHUMNO-SDNWHVSQSA-N
XLogP5.73
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.81
LogP ≤ 55.73
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

(E)-3-(4-chlorophenyl)prop-2-enoyl chloride
CID 11252649
(4-chlorophenyl)-(9H-fluoren-9-yl)methanone
CID 15191914
(Z)-3-(4-chlorophenyl)prop-2-enamide
CID 25021411
S-phenyl (E)-3-(4-chlorophenyl)prop-2-enethioate
CID 10039042
4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-5-methyl-2-phenyl-4H-pyrazol-3-one
CID 139227486
(Z)-3-(4-chlorophenyl)-1-phenylprop-2-en-1-one
CID 7292267
CID 59090945
CID 59090945
(E)-3-(4-chlorophenyl)prop-2-enoic acid;silver
CID 88781807
(E)-3-(4-chlorophenyl)prop-2-enoyl bromide
CID 19079844
2-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-3-phenylspiro[cyclohexane-4,2'-indene]-1,1',3'-trione
CID 102101731
zinc bis(3-(4-chlorophenyl)prop-2-enoate)
CID 158446938
(E)-1-[4-(9H-fluoren-9-ylmethyl)phenyl]pent-1-en-3-one
CID 158013502

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenyl)-1-(9H-fluoren-9-yl)prop-2-en-1-one?
The IUPAC name of (E)-3-(4-chlorophenyl)-1-(9H-fluoren-9-yl)prop-2-en-1-one (CID 101015149) is (E)-3-(4-chlorophenyl)-1-(9H-fluoren-9-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-1-(9H-fluoren-9-yl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(4-chlorophenyl)-1-(9H-fluoren-9-yl)prop-2-en-1-one is O=C(/C=C/c1ccc(Cl)cc1)C1c2ccccc2-c2ccccc21.
What is the InChIKey of (E)-3-(4-chlorophenyl)-1-(9H-fluoren-9-yl)prop-2-en-1-one?
The InChIKey is FXJPOALGYHUMNO-SDNWHVSQSA-N. The full InChI is InChI=1S/C22H15ClO/c23-16-12-9-15(10-13-16)11-14-21(24)22-19-7-3-1-5-17(19)18-6-2-4-8-20(18)22/h1-14,22H/b14-11+.
What are the key properties of (E)-3-(4-chlorophenyl)-1-(9H-fluoren-9-yl)prop-2-en-1-one?
(E)-3-(4-chlorophenyl)-1-(9H-fluoren-9-yl)prop-2-en-1-one has a molecular weight of 330.81 g/mol, XLogP of 5.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chlorophenyl)-1-(9H-fluoren-9-yl)prop-2-en-1-one is sourced from PubChem (CID 101015149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).