(Z)-1-phenylmethoxy-2-(phenylselanylmethyl)non-1-en-3-one

C23H28O2Se — CID 177446776

IUPAC(Z)-1-phenylmethoxy-2-(phenylselanylmethyl)non-1-en-3-one
SMILESCCCCCCC(=O)/C(=C/OCc1ccccc1)C[Se]c1ccccc1
InChIInChI=1S/C23H28O2Se/c1-2-3-4-11-16-23(24)21(19-26-22-14-9-6-10-15-22)18-25-17-20-12-7-5-8-13-20/h5-10,12-15,18H,2-4,11,16-17,19H2,1H3/b21-18+
InChIKeyHDTJELHOOHSLCB-DYTRJAOYSA-N
MW415.44 g/mol
LogP5.07
Rot. Bonds12

About (Z)-1-phenylmethoxy-2-(phenylselanylmethyl)non-1-en-3-one

(Z)-1-phenylmethoxy-2-(phenylselanylmethyl)non-1-en-3-one (PubChem CID 177446776) has the molecular formula C23H28O2Se and a molecular weight of 415.44 g/mol. Its IUPAC name is (Z)-1-phenylmethoxy-2-(phenylselanylmethyl)non-1-en-3-one.

Molecular Properties

Compound Name(Z)-1-phenylmethoxy-2-(phenylselanylmethyl)non-1-en-3-one
PubChem CID177446776
Molecular FormulaC23H28O2Se
Molecular Weight415.44 g/mol
Exact Mass416.13
IUPAC Name(Z)-1-phenylmethoxy-2-(phenylselanylmethyl)non-1-en-3-one
SMILESCCCCCCC(=O)/C(=C/OCc1ccccc1)C[Se]c1ccccc1
InChIInChI=1S/C23H28O2Se/c1-2-3-4-11-16-23(24)21(19-26-22-14-9-6-10-15-22)18-25-17-20-12-7-5-8-13-20/h5-10,12-15,18H,2-4,11,16-17,19H2,1H3/b21-18+
InChIKeyHDTJELHOOHSLCB-DYTRJAOYSA-N
XLogP5.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.44
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-1-phenylmethoxy-2-(phenylselanylmethyl)non-1-en-3-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

(E)-1-phenyl-2-(phenylselanylmethyl)non-1-en-3-one
CID 177396673
benzyl 2-oxodecanoate
CID 18370296
(E)-1-phenylmethoxyoct-1-en-3-one
CID 70102964
benzyl heptadecanoate
CID 522569
benzyl acetate;dodecane
CID 138609592
benzyl N-[(Z)-4-oxotridec-2-en-3-yl]carbamate
CID 140853677
N-phenylmethoxyhexanamide
CID 60717350
benzyl decanoate;N,N-dimethylmethanamine
CID 175539518
[(E)-2-methylundec-1-enyl] 2-phenylacetate
CID 70223383
(1E)-1-phenylmethoxyiminodecan-2-one
CID 15882423
(E)-2-methyl-1-phenylnon-1-en-3-one
CID 102243478
N-(2-phenylmethoxyethyl)octadecanamide
CID 3875168

Frequently Asked Questions

What is the IUPAC name of (Z)-1-phenylmethoxy-2-(phenylselanylmethyl)non-1-en-3-one?
The IUPAC name of (Z)-1-phenylmethoxy-2-(phenylselanylmethyl)non-1-en-3-one (CID 177446776) is (Z)-1-phenylmethoxy-2-(phenylselanylmethyl)non-1-en-3-one.
What is the SMILES notation for (Z)-1-phenylmethoxy-2-(phenylselanylmethyl)non-1-en-3-one?
The canonical SMILES for (Z)-1-phenylmethoxy-2-(phenylselanylmethyl)non-1-en-3-one is CCCCCCC(=O)/C(=C/OCc1ccccc1)C[Se]c1ccccc1.
What is the InChIKey of (Z)-1-phenylmethoxy-2-(phenylselanylmethyl)non-1-en-3-one?
The InChIKey is HDTJELHOOHSLCB-DYTRJAOYSA-N. The full InChI is InChI=1S/C23H28O2Se/c1-2-3-4-11-16-23(24)21(19-26-22-14-9-6-10-15-22)18-25-17-20-12-7-5-8-13-20/h5-10,12-15,18H,2-4,11,16-17,19H2,1H3/b21-18+.
What are the key properties of (Z)-1-phenylmethoxy-2-(phenylselanylmethyl)non-1-en-3-one?
(Z)-1-phenylmethoxy-2-(phenylselanylmethyl)non-1-en-3-one has a molecular weight of 415.44 g/mol, XLogP of 5.07, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-phenylmethoxy-2-(phenylselanylmethyl)non-1-en-3-one is sourced from PubChem (CID 177446776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).