1,2,3-trimethoxy-5-[(4-methoxyphenyl)methylsulfinyl]benzene

C17H20O5S — CID 10215306

IUPAC1,2,3-trimethoxy-5-[(4-methoxyphenyl)methylsulfinyl]benzene
SMILESCOc1ccc(CS(=O)c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C17H20O5S/c1-19-13-7-5-12(6-8-13)11-23(18)14-9-15(20-2)17(22-4)16(10-14)21-3/h5-10H,11H2,1-4H3
InChIKeyRIXQNAIUGKLRMK-UHFFFAOYSA-N
MW336.41 g/mol
LogP3.03
Rot. Bonds7

About 1,2,3-trimethoxy-5-[(4-methoxyphenyl)methylsulfinyl]benzene

1,2,3-trimethoxy-5-[(4-methoxyphenyl)methylsulfinyl]benzene (PubChem CID 10215306) has the molecular formula C17H20O5S and a molecular weight of 336.41 g/mol. Its IUPAC name is 1,2,3-trimethoxy-5-[(4-methoxyphenyl)methylsulfinyl]benzene.

Molecular Properties

Compound Name1,2,3-trimethoxy-5-[(4-methoxyphenyl)methylsulfinyl]benzene
PubChem CID10215306
Molecular FormulaC17H20O5S
Molecular Weight336.41 g/mol
Exact Mass336.10
IUPAC Name1,2,3-trimethoxy-5-[(4-methoxyphenyl)methylsulfinyl]benzene
SMILESCOc1ccc(CS(=O)c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C17H20O5S/c1-19-13-7-5-12(6-8-13)11-23(18)14-9-15(20-2)17(22-4)16(10-14)21-3/h5-10H,11H2,1-4H3
InChIKeyRIXQNAIUGKLRMK-UHFFFAOYSA-N
XLogP3.03
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methoxy-4-[[(R)-phenylsulfinyl]methyl]benzene
CID 40517522
4-[(4-methoxyphenyl)methylsulfinyl]aniline
CID 61368872
3-[(4-methoxyphenyl)methylsulfinyl]aniline
CID 81181267
2-[4-[(4-methoxyphenyl)methylsulfinyl]phenyl]acetic acid
CID 64927206
4-[(4-methoxyphenyl)sulfinylmethyl]benzoic acid
CID 60710231
potassium [4-[(4-methoxyphenyl)methylsulfinyl]phenyl]methanesulfonate
CID 102506538
5-[(3,4-dimethoxyphenyl)methylsulfinylmethyl]-1,2,3-trimethoxybenzene
CID 10595940
1-(ethylsulfinylmethyl)-4-methoxybenzene
CID 11074368
3-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-1-[(3,4,5-trimethoxyphenyl)methyl]thiourea
CID 5201041
N-[(4-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7772407
1,2,3-trimethoxy-5-[2-[3-[2-(4-methoxyphenyl)ethyl]phenyl]ethyl]benzene
CID 171715581
1,2,3-trimethoxy-5-[3-(4-methoxyphenyl)prop-1-enyl]benzene
CID 141151486

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethoxy-5-[(4-methoxyphenyl)methylsulfinyl]benzene?
The IUPAC name of 1,2,3-trimethoxy-5-[(4-methoxyphenyl)methylsulfinyl]benzene (CID 10215306) is 1,2,3-trimethoxy-5-[(4-methoxyphenyl)methylsulfinyl]benzene.
What is the SMILES notation for 1,2,3-trimethoxy-5-[(4-methoxyphenyl)methylsulfinyl]benzene?
The canonical SMILES for 1,2,3-trimethoxy-5-[(4-methoxyphenyl)methylsulfinyl]benzene is COc1ccc(CS(=O)c2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of 1,2,3-trimethoxy-5-[(4-methoxyphenyl)methylsulfinyl]benzene?
The InChIKey is RIXQNAIUGKLRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O5S/c1-19-13-7-5-12(6-8-13)11-23(18)14-9-15(20-2)17(22-4)16(10-14)21-3/h5-10H,11H2,1-4H3.
What are the key properties of 1,2,3-trimethoxy-5-[(4-methoxyphenyl)methylsulfinyl]benzene?
1,2,3-trimethoxy-5-[(4-methoxyphenyl)methylsulfinyl]benzene has a molecular weight of 336.41 g/mol, XLogP of 3.03, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethoxy-5-[(4-methoxyphenyl)methylsulfinyl]benzene is sourced from PubChem (CID 10215306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).