(2R)-2-(2-chloroprop-2-enyl)-4-phenyl-2H-furan-5-one

C13H11ClO2 — CID 164513807

IUPAC(2R)-2-(2-chloroprop-2-enyl)-4-phenyl-2H-furan-5-one
SMILESC=C(Cl)C[C@@H]1C=C(c2ccccc2)C(=O)O1
InChIInChI=1S/C13H11ClO2/c1-9(14)7-11-8-12(13(15)16-11)10-5-3-2-4-6-10/h2-6,8,11H,1,7H2/t11-/m1/s1
InChIKeyZKTLQWCQPWUQIW-LLVKDONJSA-N
MW234.68 g/mol
LogP3.14
Rot. Bonds3

About (2R)-2-(2-chloroprop-2-enyl)-4-phenyl-2H-furan-5-one

(2R)-2-(2-chloroprop-2-enyl)-4-phenyl-2H-furan-5-one (PubChem CID 164513807) has the molecular formula C13H11ClO2 and a molecular weight of 234.68 g/mol. Its IUPAC name is (2R)-2-(2-chloroprop-2-enyl)-4-phenyl-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-2-(2-chloroprop-2-enyl)-4-phenyl-2H-furan-5-one
PubChem CID164513807
Molecular FormulaC13H11ClO2
Molecular Weight234.68 g/mol
Exact Mass234.04
IUPAC Name(2R)-2-(2-chloroprop-2-enyl)-4-phenyl-2H-furan-5-one
SMILESC=C(Cl)C[C@@H]1C=C(c2ccccc2)C(=O)O1
InChIInChI=1S/C13H11ClO2/c1-9(14)7-11-8-12(13(15)16-11)10-5-3-2-4-6-10/h2-6,8,11H,1,7H2/t11-/m1/s1
InChIKeyZKTLQWCQPWUQIW-LLVKDONJSA-N
XLogP3.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.68
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2R)-2-(2-chloroprop-2-enyl)-4-phenyl-2H-furan-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-phenyl-2-propan-2-yl-2H-furan-5-one
CID 10703288
(2S)-4-(4-tert-butylphenyl)-2-prop-2-enyl-2H-furan-5-one
CID 102223760
4-(3-chlorophenyl)-2-pentyl-2H-furan-5-one
CID 506559
4-(3-methoxyphenyl)-2-propyl-2H-furan-5-one
CID 142708556
4,5-bis(hydroxymethyl)-2-phenylcyclopent-2-en-1-one
CID 100924905
[4-(3,4-dichlorophenyl)-5-oxo-2H-furan-2-yl]methyl 2,3-dibromo-2,3-dihydrothiophene-5-carboxylate
CID 89323714
(6-oxo-5-phenyl-2,3-dihydropyran-3-yl)methyl acetate
CID 52940781
(3S,4S)-1-benzyl-3-(2-chloroprop-2-enyl)-4-prop-2-enylpyrrolidine-2,5-dione
CID 10881235
N-[[(2R)-4-[4-(4-benzylpiperazin-1-yl)-3-fluorophenyl]-5-oxo-2H-furan-2-yl]methyl]acetamide
CID 67652353
1,1'-biphenyl;2-hydroxyprop-2-enoic acid
CID 175089915
2,4-diphenyl-2H-thiopyrano[3,2-b]chromen-10-one
CID 174839518
[4-methyl-3-(2-methylprop-2-enyl)cyclopenta-1,4-dien-1-yl]benzene
CID 123789812

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chloroprop-2-enyl)-4-phenyl-2H-furan-5-one?
The IUPAC name of (2R)-2-(2-chloroprop-2-enyl)-4-phenyl-2H-furan-5-one (CID 164513807) is (2R)-2-(2-chloroprop-2-enyl)-4-phenyl-2H-furan-5-one.
What is the SMILES notation for (2R)-2-(2-chloroprop-2-enyl)-4-phenyl-2H-furan-5-one?
The canonical SMILES for (2R)-2-(2-chloroprop-2-enyl)-4-phenyl-2H-furan-5-one is C=C(Cl)C[C@@H]1C=C(c2ccccc2)C(=O)O1.
What is the InChIKey of (2R)-2-(2-chloroprop-2-enyl)-4-phenyl-2H-furan-5-one?
The InChIKey is ZKTLQWCQPWUQIW-LLVKDONJSA-N. The full InChI is InChI=1S/C13H11ClO2/c1-9(14)7-11-8-12(13(15)16-11)10-5-3-2-4-6-10/h2-6,8,11H,1,7H2/t11-/m1/s1.
What are the key properties of (2R)-2-(2-chloroprop-2-enyl)-4-phenyl-2H-furan-5-one?
(2R)-2-(2-chloroprop-2-enyl)-4-phenyl-2H-furan-5-one has a molecular weight of 234.68 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chloroprop-2-enyl)-4-phenyl-2H-furan-5-one is sourced from PubChem (CID 164513807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).