(2,4-dimethoxyphenyl)-(4-methylsulfanylphenyl)methanone

C16H16O3S — CID 112694184

IUPAC(2,4-dimethoxyphenyl)-(4-methylsulfanylphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(SC)cc2)c(OC)c1
InChIInChI=1S/C16H16O3S/c1-18-12-6-9-14(15(10-12)19-2)16(17)11-4-7-13(20-3)8-5-11/h4-10H,1-3H3
InChIKeyHBAKYDSXXQHPAO-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.66
Rot. Bonds5

About (2,4-dimethoxyphenyl)-(4-methylsulfanylphenyl)methanone

(2,4-dimethoxyphenyl)-(4-methylsulfanylphenyl)methanone (PubChem CID 112694184) has the molecular formula C16H16O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)-(4-methylsulfanylphenyl)methanone.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)-(4-methylsulfanylphenyl)methanone
PubChem CID112694184
Molecular FormulaC16H16O3S
Molecular Weight288.37 g/mol
Exact Mass288.08
IUPAC Name(2,4-dimethoxyphenyl)-(4-methylsulfanylphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(SC)cc2)c(OC)c1
InChIInChI=1S/C16H16O3S/c1-18-12-6-9-14(15(10-12)19-2)16(17)11-4-7-13(20-3)8-5-11/h4-10H,1-3H3
InChIKeyHBAKYDSXXQHPAO-UHFFFAOYSA-N
XLogP3.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-fluoro-4-methoxyphenyl)-(4-methylsulfanylphenyl)methanone
CID 79215178
(2,4-dimethoxyphenyl)-[4-(dimethylamino)phenyl]methanone
CID 3243415
4-methoxy-2-(4-methylsulfanylphenoxy)benzoic acid
CID 81308953
(3-bromo-4-chlorophenyl)-(2,4-dimethoxyphenyl)methanone
CID 115565794
(4-bromo-3-methylphenyl)-(2,4-dimethoxyphenyl)methanone
CID 114971196
(4-methoxy-3-methylphenyl)-(4-methylsulfanylphenyl)methanone
CID 79214841
[2-(4-methoxyphenyl)-2-oxoethyl] 2-methoxy-4-methylsulfanylbenzoate
CID 8014248
2,4-dimethoxybenzoic acid
CID 7052
2,4-dimethoxybenzoic acid
CID 67450326
(2,4-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43339638
(4-methoxy-2-trimethylsilyloxyphenyl)-(4-methylphenyl)methanone
CID 91741601
[2-(2-acetyloxy-4-methoxybenzoyl)-5-methoxyphenyl] acetate
CID 121279078

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)-(4-methylsulfanylphenyl)methanone?
The IUPAC name of (2,4-dimethoxyphenyl)-(4-methylsulfanylphenyl)methanone (CID 112694184) is (2,4-dimethoxyphenyl)-(4-methylsulfanylphenyl)methanone.
What is the SMILES notation for (2,4-dimethoxyphenyl)-(4-methylsulfanylphenyl)methanone?
The canonical SMILES for (2,4-dimethoxyphenyl)-(4-methylsulfanylphenyl)methanone is COc1ccc(C(=O)c2ccc(SC)cc2)c(OC)c1.
What is the InChIKey of (2,4-dimethoxyphenyl)-(4-methylsulfanylphenyl)methanone?
The InChIKey is HBAKYDSXXQHPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3S/c1-18-12-6-9-14(15(10-12)19-2)16(17)11-4-7-13(20-3)8-5-11/h4-10H,1-3H3.
What are the key properties of (2,4-dimethoxyphenyl)-(4-methylsulfanylphenyl)methanone?
(2,4-dimethoxyphenyl)-(4-methylsulfanylphenyl)methanone has a molecular weight of 288.37 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl)-(4-methylsulfanylphenyl)methanone is sourced from PubChem (CID 112694184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).