(E)-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylbut-3-en-2-one

C19H20O3 — CID 22246671

IUPAC(E)-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylbut-3-en-2-one
SMILESCOc1ccc(/C=C(\C)C(C)=O)cc1OCc1ccccc1
InChIInChI=1S/C19H20O3/c1-14(15(2)20)11-17-9-10-18(21-3)19(12-17)22-13-16-7-5-4-6-8-16/h4-12H,13H2,1-3H3/b14-11+
InChIKeyXUBIVWIWQDHUFE-SDNWHVSQSA-N
MW296.37 g/mol
LogP4.27
Rot. Bonds6

About (E)-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylbut-3-en-2-one

(E)-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylbut-3-en-2-one (PubChem CID 22246671) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is (E)-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylbut-3-en-2-one.

Molecular Properties

Compound Name(E)-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylbut-3-en-2-one
PubChem CID22246671
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Name(E)-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylbut-3-en-2-one
SMILESCOc1ccc(/C=C(\C)C(C)=O)cc1OCc1ccccc1
InChIInChI=1S/C19H20O3/c1-14(15(2)20)11-17-9-10-18(21-3)19(12-17)22-13-16-7-5-4-6-8-16/h4-12H,13H2,1-3H3/b14-11+
InChIKeyXUBIVWIWQDHUFE-SDNWHVSQSA-N
XLogP4.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methoxy-3-(4-methoxy-3-phenylmethoxyphenyl)-N,2-dimethylprop-2-enamide
CID 73443908
1-methoxy-4-[2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-2-phenylmethoxybenzene
CID 54382192
(Z)-2-cyano-3-(4-methoxy-3-phenylmethoxyphenyl)prop-2-enoic acid
CID 27422712
3-(4-methoxy-3-phenylmethoxyphenyl)prop-2-enehydrazide
CID 131849552
S-[3-(4-methoxy-3-phenylmethoxyphenyl)prop-2-enyl] ethanethioate
CID 169458371
2,3-bis[(3-methoxy-4-phenylmethoxyphenyl)methylidene]butanedial
CID 85426297
2-[[(E)-3-(3-methoxy-4-phenylmethoxyphenyl)-2-methylprop-2-enoyl]amino]benzoic acid
CID 71299863
(E)-1-(2-hydroxyphenyl)-3-(4-methoxy-3-phenylmethoxyphenyl)prop-2-en-1-one
CID 12681944
propan-2-yl (E)-2-cyano-3-(4-methoxy-3-phenylmethoxyphenyl)prop-2-enoate
CID 6041113
4-methoxy-3-phenylmethoxybenzamide
CID 22467475
3-methoxy-4-phenylmethoxybenzaldehyde
CID 161042191
N-benzyl-5-[(Z)-1-chloro-2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-1,3,4-thiadiazole-2-carboxamide
CID 24533898

Frequently Asked Questions

What is the IUPAC name of (E)-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylbut-3-en-2-one?
The IUPAC name of (E)-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylbut-3-en-2-one (CID 22246671) is (E)-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylbut-3-en-2-one.
What is the SMILES notation for (E)-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylbut-3-en-2-one?
The canonical SMILES for (E)-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylbut-3-en-2-one is COc1ccc(/C=C(\C)C(C)=O)cc1OCc1ccccc1.
What is the InChIKey of (E)-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylbut-3-en-2-one?
The InChIKey is XUBIVWIWQDHUFE-SDNWHVSQSA-N. The full InChI is InChI=1S/C19H20O3/c1-14(15(2)20)11-17-9-10-18(21-3)19(12-17)22-13-16-7-5-4-6-8-16/h4-12H,13H2,1-3H3/b14-11+.
What are the key properties of (E)-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylbut-3-en-2-one?
(E)-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylbut-3-en-2-one has a molecular weight of 296.37 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylbut-3-en-2-one is sourced from PubChem (CID 22246671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).