1-[2-methoxy-6-[(4-methoxyphenyl)methoxy]phenyl]-3-methylsulfanylprop-2-en-1-one

C19H20O4S — CID 141265886

IUPAC1-[2-methoxy-6-[(4-methoxyphenyl)methoxy]phenyl]-3-methylsulfanylprop-2-en-1-one
SMILESCOc1ccc(COc2cccc(OC)c2C(=O)C=CSC)cc1
InChIInChI=1S/C19H20O4S/c1-21-15-9-7-14(8-10-15)13-23-18-6-4-5-17(22-2)19(18)16(20)11-12-24-3/h4-12H,13H2,1-3H3
InChIKeyLWUVSOUZORFNSM-UHFFFAOYSA-N
MW344.43 g/mol
LogP4.34
Rot. Bonds8

About 1-[2-methoxy-6-[(4-methoxyphenyl)methoxy]phenyl]-3-methylsulfanylprop-2-en-1-one

1-[2-methoxy-6-[(4-methoxyphenyl)methoxy]phenyl]-3-methylsulfanylprop-2-en-1-one (PubChem CID 141265886) has the molecular formula C19H20O4S and a molecular weight of 344.43 g/mol. Its IUPAC name is 1-[2-methoxy-6-[(4-methoxyphenyl)methoxy]phenyl]-3-methylsulfanylprop-2-en-1-one.

Molecular Properties

Compound Name1-[2-methoxy-6-[(4-methoxyphenyl)methoxy]phenyl]-3-methylsulfanylprop-2-en-1-one
PubChem CID141265886
Molecular FormulaC19H20O4S
Molecular Weight344.43 g/mol
Exact Mass344.11
IUPAC Name1-[2-methoxy-6-[(4-methoxyphenyl)methoxy]phenyl]-3-methylsulfanylprop-2-en-1-one
SMILESCOc1ccc(COc2cccc(OC)c2C(=O)C=CSC)cc1
InChIInChI=1S/C19H20O4S/c1-21-15-9-7-14(8-10-15)13-23-18-6-4-5-17(22-2)19(18)16(20)11-12-24-3/h4-12H,13H2,1-3H3
InChIKeyLWUVSOUZORFNSM-UHFFFAOYSA-N
XLogP4.34
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-methoxy-6-[(4-methoxyphenyl)methoxy]phenyl]-3,3-bis(methylsulfanyl)prop-1-en-1-one
CID 87395896
2-methoxy-N-(4-methoxyphenyl)-6-phenylmethoxybenzamide
CID 44762771
3-[2,3-bis(phenylmethoxy)phenyl]-1-[2-[(4-methoxyphenyl)methylsulfanyl]-3,6-bis(phenylmethoxy)phenyl]prop-2-en-1-one
CID 85286845
2-bromo-1-methoxy-3-[(4-methoxyphenyl)methoxy]benzene
CID 142468991
(E)-1-[2,6-bis(phenylmethoxy)phenyl]-3-(4-phenylmethoxyphenyl)prop-2-en-1-one
CID 10578039
1-[2-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]-3,3-bis(methylsulfanyl)prop-2-en-1-one
CID 126484430
1-[2-(2-cyclopropylethyl)-6-[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 71146282
4-[(4-methoxyphenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid
CID 175937035
(E)-1-(2,6-diethoxyphenyl)-3-(2,6-dimethoxyphenyl)prop-2-en-1-one
CID 24828195
4-[3-[(4-methoxyphenyl)methoxy]phenyl]-4-oxobut-2-enoic acid
CID 54212138
2-fluoro-N'-hydroxy-6-[(4-methoxyphenyl)methoxy]benzenecarboximidamide
CID 74881945
2-fluoro-6-hydroxybenzoic acid;2-fluoro-6-hydroxy-N-methoxy-N-methylbenzamide;2-fluoro-N-methoxy-6-[(4-methoxyphenyl)methoxy]-N-methylbenzamide
CID 160686333

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-6-[(4-methoxyphenyl)methoxy]phenyl]-3-methylsulfanylprop-2-en-1-one?
The IUPAC name of 1-[2-methoxy-6-[(4-methoxyphenyl)methoxy]phenyl]-3-methylsulfanylprop-2-en-1-one (CID 141265886) is 1-[2-methoxy-6-[(4-methoxyphenyl)methoxy]phenyl]-3-methylsulfanylprop-2-en-1-one.
What is the SMILES notation for 1-[2-methoxy-6-[(4-methoxyphenyl)methoxy]phenyl]-3-methylsulfanylprop-2-en-1-one?
The canonical SMILES for 1-[2-methoxy-6-[(4-methoxyphenyl)methoxy]phenyl]-3-methylsulfanylprop-2-en-1-one is COc1ccc(COc2cccc(OC)c2C(=O)C=CSC)cc1.
What is the InChIKey of 1-[2-methoxy-6-[(4-methoxyphenyl)methoxy]phenyl]-3-methylsulfanylprop-2-en-1-one?
The InChIKey is LWUVSOUZORFNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O4S/c1-21-15-9-7-14(8-10-15)13-23-18-6-4-5-17(22-2)19(18)16(20)11-12-24-3/h4-12H,13H2,1-3H3.
What are the key properties of 1-[2-methoxy-6-[(4-methoxyphenyl)methoxy]phenyl]-3-methylsulfanylprop-2-en-1-one?
1-[2-methoxy-6-[(4-methoxyphenyl)methoxy]phenyl]-3-methylsulfanylprop-2-en-1-one has a molecular weight of 344.43 g/mol, XLogP of 4.34, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-6-[(4-methoxyphenyl)methoxy]phenyl]-3-methylsulfanylprop-2-en-1-one is sourced from PubChem (CID 141265886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).