1-(2,5-dimethoxy-4-methylsulfonylphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one

C19H20O6S — CID 66871241

IUPAC1-(2,5-dimethoxy-4-methylsulfonylphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
SMILESCOc1ccc(C=CC(=O)c2cc(OC)c(S(C)(=O)=O)cc2OC)cc1
InChIInChI=1S/C19H20O6S/c1-23-14-8-5-13(6-9-14)7-10-16(20)15-11-18(25-3)19(26(4,21)22)12-17(15)24-2/h5-12H,1-4H3
InChIKeyUGZFDDDRSKSZSK-UHFFFAOYSA-N
MW376.43 g/mol
LogP3.01
Rot. Bonds7

About 1-(2,5-dimethoxy-4-methylsulfonylphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one

1-(2,5-dimethoxy-4-methylsulfonylphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one (PubChem CID 66871241) has the molecular formula C19H20O6S and a molecular weight of 376.43 g/mol. Its IUPAC name is 1-(2,5-dimethoxy-4-methylsulfonylphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(2,5-dimethoxy-4-methylsulfonylphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
PubChem CID66871241
Molecular FormulaC19H20O6S
Molecular Weight376.43 g/mol
Exact Mass376.10
IUPAC Name1-(2,5-dimethoxy-4-methylsulfonylphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
SMILESCOc1ccc(C=CC(=O)c2cc(OC)c(S(C)(=O)=O)cc2OC)cc1
InChIInChI=1S/C19H20O6S/c1-23-14-8-5-13(6-9-14)7-10-16(20)15-11-18(25-3)19(26(4,21)22)12-17(15)24-2/h5-12H,1-4H3
InChIKeyUGZFDDDRSKSZSK-UHFFFAOYSA-N
XLogP3.01
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(4-hydroxy-2-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 143338501
3-(4-methoxyphenyl)-1-(2,4,5-trimethylphenyl)prop-2-en-1-one
CID 3441199
5-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-2,4-dimethoxybenzenesulfonamide
CID 171919657
(E)-3-(4-methoxyphenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
CID 5378566
[4-[3-(2,4-dimethoxyphenyl)-3-oxoprop-1-enyl]phenyl] 4-methoxybenzoate
CID 3558585
(E)-1-(2,4-dimethoxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-en-1-one
CID 8832774
(E)-1-(2,4-dimethoxyphenyl)-3-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 7946128
(E)-1-(2,5-dimethoxyphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 7515327
N-[4-[3-(2,5-dimethoxyphenyl)-3-oxoprop-1-enyl]phenyl]acetamide
CID 54182720
[4-[3-(2,5-dimethoxyphenyl)-3-oxoprop-1-enyl]phenyl] 3-phenylprop-2-enoate
CID 3550111
1-(5-methoxy-3,3-dioxo-1,3λ6-benzoxathiol-6-yl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 66871239
1-(2,5-dichlorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 78574899

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxy-4-methylsulfonylphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one?
The IUPAC name of 1-(2,5-dimethoxy-4-methylsulfonylphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one (CID 66871241) is 1-(2,5-dimethoxy-4-methylsulfonylphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for 1-(2,5-dimethoxy-4-methylsulfonylphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one?
The canonical SMILES for 1-(2,5-dimethoxy-4-methylsulfonylphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one is COc1ccc(C=CC(=O)c2cc(OC)c(S(C)(=O)=O)cc2OC)cc1.
What is the InChIKey of 1-(2,5-dimethoxy-4-methylsulfonylphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one?
The InChIKey is UGZFDDDRSKSZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O6S/c1-23-14-8-5-13(6-9-14)7-10-16(20)15-11-18(25-3)19(26(4,21)22)12-17(15)24-2/h5-12H,1-4H3.
What are the key properties of 1-(2,5-dimethoxy-4-methylsulfonylphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one?
1-(2,5-dimethoxy-4-methylsulfonylphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one has a molecular weight of 376.43 g/mol, XLogP of 3.01, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxy-4-methylsulfonylphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 66871241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).