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

C19H20O3 — CID 165351564

IUPAC4-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]but-3-en-2-one
SMILESCOc1ccc(C=CC(C)=O)cc1OCc1ccc(C)cc1
InChIInChI=1S/C19H20O3/c1-14-4-7-17(8-5-14)13-22-19-12-16(9-6-15(2)20)10-11-18(19)21-3/h4-12H,13H2,1-3H3
InChIKeyLVWSTOYIGLOKRZ-UHFFFAOYSA-N
MW296.37 g/mol
LogP4.18
Rot. Bonds6

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

4-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]but-3-en-2-one (PubChem CID 165351564) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]but-3-en-2-one.

Molecular Properties

Compound Name4-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]but-3-en-2-one
PubChem CID165351564
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Name4-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]but-3-en-2-one
SMILESCOc1ccc(C=CC(C)=O)cc1OCc1ccc(C)cc1
InChIInChI=1S/C19H20O3/c1-14-4-7-17(8-5-14)13-22-19-12-16(9-6-15(2)20)10-11-18(19)21-3/h4-12H,13H2,1-3H3
InChIKeyLVWSTOYIGLOKRZ-UHFFFAOYSA-N
XLogP4.18
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 ≤ 54.18
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

(E)-4-[4-[(4-tert-butylphenyl)methoxy]-3-methoxyphenyl]but-3-en-2-one
CID 155807605
(E)-3-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]prop-2-enehydrazide
CID 91685038
(E)-3-[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]prop-2-enamide
CID 91685648
N-(4-acetamidophenyl)-3-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]prop-2-enamide
CID 3454977
methyl (E)-3-[3-iodo-4-[(4-methylphenyl)methoxy]phenyl]prop-2-enoate
CID 91684654
(E)-3-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide
CID 91685134
(E)-3-[3-bromo-4-[(4-methylphenyl)methoxy]phenyl]prop-2-enoic acid
CID 6272407
3-(4-methoxy-3-phenylmethoxyphenyl)prop-2-enehydrazide
CID 131849552
1-(hydroperoxymethyl)-4-methylbenzene;(E)-4-[4-(hydroperoxymethyl)phenyl]but-3-en-2-one;propan-2-one
CID 158873409
(4-methylphenyl)methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 2551665
(E)-3-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoic acid
CID 42314643
(E)-1-(2-hydroxyphenyl)-3-(4-methoxy-3-phenylmethoxyphenyl)prop-2-en-1-one
CID 12681944

Frequently Asked Questions

What is the IUPAC name of 4-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]but-3-en-2-one?
The IUPAC name of 4-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]but-3-en-2-one (CID 165351564) is 4-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]but-3-en-2-one.
What is the SMILES notation for 4-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]but-3-en-2-one?
The canonical SMILES for 4-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]but-3-en-2-one is COc1ccc(C=CC(C)=O)cc1OCc1ccc(C)cc1.
What is the InChIKey of 4-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]but-3-en-2-one?
The InChIKey is LVWSTOYIGLOKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O3/c1-14-4-7-17(8-5-14)13-22-19-12-16(9-6-15(2)20)10-11-18(19)21-3/h4-12H,13H2,1-3H3.
What are the key properties of 4-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]but-3-en-2-one?
4-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]but-3-en-2-one has a molecular weight of 296.37 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]but-3-en-2-one is sourced from PubChem (CID 165351564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).