(E)-4-[2-[(2-methylphenyl)methoxy]phenyl]but-3-en-2-one

C18H18O2 — CID 82184699

IUPAC(E)-4-[2-[(2-methylphenyl)methoxy]phenyl]but-3-en-2-one
SMILESCC(=O)/C=C/c1ccccc1OCc1ccccc1C
InChIInChI=1S/C18H18O2/c1-14-7-3-4-9-17(14)13-20-18-10-6-5-8-16(18)12-11-15(2)19/h3-12H,13H2,1-2H3/b12-11+
InChIKeyUMBMOYVSBLKBCS-VAWYXSNFSA-N
MW266.34 g/mol
LogP4.18
Rot. Bonds5

About (E)-4-[2-[(2-methylphenyl)methoxy]phenyl]but-3-en-2-one

(E)-4-[2-[(2-methylphenyl)methoxy]phenyl]but-3-en-2-one (PubChem CID 82184699) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is (E)-4-[2-[(2-methylphenyl)methoxy]phenyl]but-3-en-2-one.

Molecular Properties

Compound Name(E)-4-[2-[(2-methylphenyl)methoxy]phenyl]but-3-en-2-one
PubChem CID82184699
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name(E)-4-[2-[(2-methylphenyl)methoxy]phenyl]but-3-en-2-one
SMILESCC(=O)/C=C/c1ccccc1OCc1ccccc1C
InChIInChI=1S/C18H18O2/c1-14-7-3-4-9-17(14)13-20-18-10-6-5-8-16(18)12-11-15(2)19/h3-12H,13H2,1-2H3/b12-11+
InChIKeyUMBMOYVSBLKBCS-VAWYXSNFSA-N
XLogP4.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-4-[2-[(2-methylphenyl)methoxy]phenyl]but-3-en-2-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)-4-[2-methyl-4-[(2-methylphenyl)methoxy]phenyl]but-3-en-2-one
CID 68674216
3-[2-[(2-methylphenoxy)methyl]phenyl]prop-2-enoic acid
CID 76908599
3-methyl-4-[(2-methylphenyl)methoxy]benzaldehyde;(E)-4-[3-methyl-4-[(2-methylphenyl)methoxy]phenyl]but-3-en-2-one
CID 162258184
(E)-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]-3-(2-propoxyphenyl)prop-2-enamide
CID 84559480
(E)-4-(2-prop-2-ynoxyphenyl)but-3-en-2-one
CID 15419007
2-[(2-methylphenyl)methoxy]benzamide
CID 7642222
ethyl 4-acetyloxy-2-[[2-[(2-methylphenyl)methoxy]phenyl]methylidene]-3-oxobutanoate
CID 54081147
2-hydroxy-2-methyl-N-[(Z)-[2-[(2-methylphenyl)methoxy]phenyl]methylideneamino]propanamide
CID 39818823
methyl 2-amino-6-[(2-methylphenyl)methoxy]benzoate
CID 107341726
3-[2-[2-(2,6-dimethylphenoxy)ethoxy]phenyl]prop-2-enoic acid
CID 20992986
ethane;4-[2-(3-oxobut-1-enyl)phenyl]but-3-en-2-one
CID 91253043
2-[(2E)-2-[[2-[(2-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid
CID 110338657

Frequently Asked Questions

What is the IUPAC name of (E)-4-[2-[(2-methylphenyl)methoxy]phenyl]but-3-en-2-one?
The IUPAC name of (E)-4-[2-[(2-methylphenyl)methoxy]phenyl]but-3-en-2-one (CID 82184699) is (E)-4-[2-[(2-methylphenyl)methoxy]phenyl]but-3-en-2-one.
What is the SMILES notation for (E)-4-[2-[(2-methylphenyl)methoxy]phenyl]but-3-en-2-one?
The canonical SMILES for (E)-4-[2-[(2-methylphenyl)methoxy]phenyl]but-3-en-2-one is CC(=O)/C=C/c1ccccc1OCc1ccccc1C.
What is the InChIKey of (E)-4-[2-[(2-methylphenyl)methoxy]phenyl]but-3-en-2-one?
The InChIKey is UMBMOYVSBLKBCS-VAWYXSNFSA-N. The full InChI is InChI=1S/C18H18O2/c1-14-7-3-4-9-17(14)13-20-18-10-6-5-8-16(18)12-11-15(2)19/h3-12H,13H2,1-2H3/b12-11+.
What are the key properties of (E)-4-[2-[(2-methylphenyl)methoxy]phenyl]but-3-en-2-one?
(E)-4-[2-[(2-methylphenyl)methoxy]phenyl]but-3-en-2-one has a molecular weight of 266.34 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[2-[(2-methylphenyl)methoxy]phenyl]but-3-en-2-one is sourced from PubChem (CID 82184699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).