(2Z)-2-benzylidene-3-[(E)-2-phenylmethoxyethenyl]cyclopentan-1-one

C21H20O2 — CID 101452822

IUPAC(2Z)-2-benzylidene-3-[(E)-2-phenylmethoxyethenyl]cyclopentan-1-one
SMILESO=C1CCC(/C=C/OCc2ccccc2)/C1=C/c1ccccc1
InChIInChI=1S/C21H20O2/c22-21-12-11-19(20(21)15-17-7-3-1-4-8-17)13-14-23-16-18-9-5-2-6-10-18/h1-10,13-15,19H,11-12,16H2/b14-13+,20-15-
InChIKeyUOHTVVQGBTYGGH-MCDHDYCYSA-N
MW304.39 g/mol
LogP4.78
Rot. Bonds5

About (2Z)-2-benzylidene-3-[(E)-2-phenylmethoxyethenyl]cyclopentan-1-one

(2Z)-2-benzylidene-3-[(E)-2-phenylmethoxyethenyl]cyclopentan-1-one (PubChem CID 101452822) has the molecular formula C21H20O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is (2Z)-2-benzylidene-3-[(E)-2-phenylmethoxyethenyl]cyclopentan-1-one.

Molecular Properties

Compound Name(2Z)-2-benzylidene-3-[(E)-2-phenylmethoxyethenyl]cyclopentan-1-one
PubChem CID101452822
Molecular FormulaC21H20O2
Molecular Weight304.39 g/mol
Exact Mass304.15
IUPAC Name(2Z)-2-benzylidene-3-[(E)-2-phenylmethoxyethenyl]cyclopentan-1-one
SMILESO=C1CCC(/C=C/OCc2ccccc2)/C1=C/c1ccccc1
InChIInChI=1S/C21H20O2/c22-21-12-11-19(20(21)15-17-7-3-1-4-8-17)13-14-23-16-18-9-5-2-6-10-18/h1-10,13-15,19H,11-12,16H2/b14-13+,20-15-
InChIKeyUOHTVVQGBTYGGH-MCDHDYCYSA-N
XLogP4.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2Z)-2-benzylidene-3-[(E)-2-phenylmethoxyethenyl]cyclopentan-1-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

3-[(Z)-4-phenylmethoxybut-3-enyl]cyclobutan-1-one
CID 143485554
2-[(E)-2-phenylethenyl]cyclobutan-1-one
CID 131241395
2,2,2-trichloro-1-[(2S)-2-[(Z)-2-phenylmethoxyethenyl]pyrrolidin-1-yl]ethanone
CID 25023120
(1Z,3Z,4Z,6Z)-1,3,4,6-tetrabenzylidene-3a,6a-dihydropentalene-2,5-dione
CID 6271135
2-benzylidene-4-(hydroxymethyl)cyclohexan-1-one
CID 68643008
(6Z)-2-benzyl-6-benzylidenecyclohexan-1-one
CID 23187438
2-benzylidene-4-ethylcyclohexan-1-one
CID 68642982
cis-(2E,3S,4R)-2-benzylidene-3,4-dimethylcyclobutan-1-one
CID 134860997
3-phenylmethoxyprop-2-enylsilane
CID 173015897
[(E)-3-fluoroprop-1-enoxy]methylbenzene
CID 143459033
benzyl formate;2-methylazetidine
CID 159394402
(6E)-6-benzylidene-3-methyloxan-2-one
CID 139265388

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-benzylidene-3-[(E)-2-phenylmethoxyethenyl]cyclopentan-1-one?
The IUPAC name of (2Z)-2-benzylidene-3-[(E)-2-phenylmethoxyethenyl]cyclopentan-1-one (CID 101452822) is (2Z)-2-benzylidene-3-[(E)-2-phenylmethoxyethenyl]cyclopentan-1-one.
What is the SMILES notation for (2Z)-2-benzylidene-3-[(E)-2-phenylmethoxyethenyl]cyclopentan-1-one?
The canonical SMILES for (2Z)-2-benzylidene-3-[(E)-2-phenylmethoxyethenyl]cyclopentan-1-one is O=C1CCC(/C=C/OCc2ccccc2)/C1=C/c1ccccc1.
What is the InChIKey of (2Z)-2-benzylidene-3-[(E)-2-phenylmethoxyethenyl]cyclopentan-1-one?
The InChIKey is UOHTVVQGBTYGGH-MCDHDYCYSA-N. The full InChI is InChI=1S/C21H20O2/c22-21-12-11-19(20(21)15-17-7-3-1-4-8-17)13-14-23-16-18-9-5-2-6-10-18/h1-10,13-15,19H,11-12,16H2/b14-13+,20-15-.
What are the key properties of (2Z)-2-benzylidene-3-[(E)-2-phenylmethoxyethenyl]cyclopentan-1-one?
(2Z)-2-benzylidene-3-[(E)-2-phenylmethoxyethenyl]cyclopentan-1-one has a molecular weight of 304.39 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-benzylidene-3-[(E)-2-phenylmethoxyethenyl]cyclopentan-1-one is sourced from PubChem (CID 101452822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).