(E)-3-(6-chloro-2H-chromen-3-yl)-1-(2-fluorophenyl)prop-2-en-1-one

C18H12ClFO2 — CID 46192447

IUPAC(E)-3-(6-chloro-2H-chromen-3-yl)-1-(2-fluorophenyl)prop-2-en-1-one
SMILESO=C(/C=C/C1=Cc2cc(Cl)ccc2OC1)c1ccccc1F
InChIInChI=1S/C18H12ClFO2/c19-14-6-8-18-13(10-14)9-12(11-22-18)5-7-17(21)15-3-1-2-4-16(15)20/h1-10H,11H2/b7-5+
InChIKeySYGNMVCYGZQYEQ-FNORWQNLSA-N
MW314.74 g/mol
LogP4.69
Rot. Bonds3

About (E)-3-(6-chloro-2H-chromen-3-yl)-1-(2-fluorophenyl)prop-2-en-1-one

(E)-3-(6-chloro-2H-chromen-3-yl)-1-(2-fluorophenyl)prop-2-en-1-one (PubChem CID 46192447) has the molecular formula C18H12ClFO2 and a molecular weight of 314.74 g/mol. Its IUPAC name is (E)-3-(6-chloro-2H-chromen-3-yl)-1-(2-fluorophenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(6-chloro-2H-chromen-3-yl)-1-(2-fluorophenyl)prop-2-en-1-one
PubChem CID46192447
Molecular FormulaC18H12ClFO2
Molecular Weight314.74 g/mol
Exact Mass314.05
IUPAC Name(E)-3-(6-chloro-2H-chromen-3-yl)-1-(2-fluorophenyl)prop-2-en-1-one
SMILESO=C(/C=C/C1=Cc2cc(Cl)ccc2OC1)c1ccccc1F
InChIInChI=1S/C18H12ClFO2/c19-14-6-8-18-13(10-14)9-12(11-22-18)5-7-17(21)15-3-1-2-4-16(15)20/h1-10H,11H2/b7-5+
InChIKeySYGNMVCYGZQYEQ-FNORWQNLSA-N
XLogP4.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.74
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(E)-3-(6-chloro-2H-chromen-3-yl)-1-(5-methylfuran-2-yl)prop-2-en-1-one
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2-[[(E)-3-(6-chloro-2H-chromen-3-yl)prop-2-enoyl]amino]benzamide
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(E)-3-(6-chloro-2H-chromen-3-yl)-1-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-en-1-one
CID 47073899
(E)-3-(6-chloro-2H-chromen-3-yl)-N-ethyl-N-(2-hydroxyethyl)prop-2-enamide
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6-chloro-3-[(E)-3-phenylprop-1-enyl]-2H-chromene
CID 56655958
(5-fluoro-2-nitrophenyl) (E)-3-(6-chloro-2H-chromen-3-yl)prop-2-enoate
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1-[(E)-3-(6-chloro-2H-chromen-3-yl)prop-2-enoyl]-N-phenylpiperidine-4-carboxamide
CID 26978496
N-[1-[(E)-3-(6-chloro-2H-chromen-3-yl)prop-2-enoyl]piperidin-4-yl]benzamide
CID 33309407
(E)-3-(6-chloro-2H-chromen-3-yl)-N-(3-nitrophenyl)prop-2-enamide
CID 26719417
(E)-3-(6-chloro-2H-chromen-3-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
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Frequently Asked Questions

What is the IUPAC name of (E)-3-(6-chloro-2H-chromen-3-yl)-1-(2-fluorophenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-(6-chloro-2H-chromen-3-yl)-1-(2-fluorophenyl)prop-2-en-1-one (CID 46192447) is (E)-3-(6-chloro-2H-chromen-3-yl)-1-(2-fluorophenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(6-chloro-2H-chromen-3-yl)-1-(2-fluorophenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(6-chloro-2H-chromen-3-yl)-1-(2-fluorophenyl)prop-2-en-1-one is O=C(/C=C/C1=Cc2cc(Cl)ccc2OC1)c1ccccc1F.
What is the InChIKey of (E)-3-(6-chloro-2H-chromen-3-yl)-1-(2-fluorophenyl)prop-2-en-1-one?
The InChIKey is SYGNMVCYGZQYEQ-FNORWQNLSA-N. The full InChI is InChI=1S/C18H12ClFO2/c19-14-6-8-18-13(10-14)9-12(11-22-18)5-7-17(21)15-3-1-2-4-16(15)20/h1-10H,11H2/b7-5+.
What are the key properties of (E)-3-(6-chloro-2H-chromen-3-yl)-1-(2-fluorophenyl)prop-2-en-1-one?
(E)-3-(6-chloro-2H-chromen-3-yl)-1-(2-fluorophenyl)prop-2-en-1-one has a molecular weight of 314.74 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(6-chloro-2H-chromen-3-yl)-1-(2-fluorophenyl)prop-2-en-1-one is sourced from PubChem (CID 46192447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).