hydroxy-[4-methyl-3-(2-phenoxyethyl)phenyl]-oxo-sulfanylidene-lambda6-sulfane

C15H16O3S2 — CID 19596119

IUPAChydroxy-[4-methyl-3-(2-phenoxyethyl)phenyl]-oxo-sulfanylidene-lambda6-sulfane
SMILESCc1ccc(S(=O)(O)=S)cc1CCOc1ccccc1
InChIInChI=1S/C15H16O3S2/c1-12-7-8-15(20(16,17)19)11-13(12)9-10-18-14-5-3-2-4-6-14/h2-8,11H,9-10H2,1H3,(H,16,17,19)
InChIKeyUANFFDNAJIVDGS-UHFFFAOYSA-N
MW308.42 g/mol
LogP3.19
Rot. Bonds5

About hydroxy-[4-methyl-3-(2-phenoxyethyl)phenyl]-oxo-sulfanylidene-lambda6-sulfane

hydroxy-[4-methyl-3-(2-phenoxyethyl)phenyl]-oxo-sulfanylidene-lambda6-sulfane (PubChem CID 19596119) has the molecular formula C15H16O3S2 and a molecular weight of 308.42 g/mol. Its IUPAC name is hydroxy-[4-methyl-3-(2-phenoxyethyl)phenyl]-oxo-sulfanylidene-lambda6-sulfane.

Molecular Properties

Compound Namehydroxy-[4-methyl-3-(2-phenoxyethyl)phenyl]-oxo-sulfanylidene-lambda6-sulfane
PubChem CID19596119
Molecular FormulaC15H16O3S2
Molecular Weight308.42 g/mol
Exact Mass308.05
IUPAC Namehydroxy-[4-methyl-3-(2-phenoxyethyl)phenyl]-oxo-sulfanylidene-lambda6-sulfane
SMILESCc1ccc(S(=O)(O)=S)cc1CCOc1ccccc1
InChIInChI=1S/C15H16O3S2/c1-12-7-8-15(20(16,17)19)11-13(12)9-10-18-14-5-3-2-4-6-14/h2-8,11H,9-10H2,1H3,(H,16,17,19)
InChIKeyUANFFDNAJIVDGS-UHFFFAOYSA-N
XLogP3.19
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

hydroxy-[4-methyl-3-(3-phenylpropyl)phenyl]-oxo-sulfanylidene-λ6-sulfane
CID 21222479
4-methyl-2-[2-(4-phenoxyphenoxy)ethyl]benzenesulfonic acid
CID 54406005
2,4,6-trimethyl-3-(2-phenoxyethyl)benzenesulfonic acid
CID 88647875
hydroxy-oxo-(3-phenoxypropoxy)-sulfanylidene-λ6-sulfane
CID 54414748
4-(benzenesulfonyl)-1-methyl-2-propylbenzene
CID 143209762
1-[4-methyl-3-(2-phenylmethoxyethyl)phenyl]sulfonylpyrrolidin-2-one
CID 146242705
10-phenoxydecane-1-sulfonic acid
CID 58984193
methyl 5-chloro-2-methyl-4-(2-phenoxyethyl)benzoate
CID 126751751
2-methyl-4-(3-phenoxypropylsulfonyl)aniline
CID 81184132
azane;pentoxybenzene;sulfuric acid
CID 173020031
2-phenoxyethyl 4-bromobenzenesulfonate
CID 139894259
2-methyl-5-(2-phenoxyethoxy)benzoic acid
CID 59058014

Frequently Asked Questions

What is the IUPAC name of hydroxy-[4-methyl-3-(2-phenoxyethyl)phenyl]-oxo-sulfanylidene-lambda6-sulfane?
The IUPAC name of hydroxy-[4-methyl-3-(2-phenoxyethyl)phenyl]-oxo-sulfanylidene-lambda6-sulfane (CID 19596119) is hydroxy-[4-methyl-3-(2-phenoxyethyl)phenyl]-oxo-sulfanylidene-lambda6-sulfane.
What is the SMILES notation for hydroxy-[4-methyl-3-(2-phenoxyethyl)phenyl]-oxo-sulfanylidene-lambda6-sulfane?
The canonical SMILES for hydroxy-[4-methyl-3-(2-phenoxyethyl)phenyl]-oxo-sulfanylidene-lambda6-sulfane is Cc1ccc(S(=O)(O)=S)cc1CCOc1ccccc1.
What is the InChIKey of hydroxy-[4-methyl-3-(2-phenoxyethyl)phenyl]-oxo-sulfanylidene-lambda6-sulfane?
The InChIKey is UANFFDNAJIVDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3S2/c1-12-7-8-15(20(16,17)19)11-13(12)9-10-18-14-5-3-2-4-6-14/h2-8,11H,9-10H2,1H3,(H,16,17,19).
What are the key properties of hydroxy-[4-methyl-3-(2-phenoxyethyl)phenyl]-oxo-sulfanylidene-lambda6-sulfane?
hydroxy-[4-methyl-3-(2-phenoxyethyl)phenyl]-oxo-sulfanylidene-lambda6-sulfane has a molecular weight of 308.42 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[4-methyl-3-(2-phenoxyethyl)phenyl]-oxo-sulfanylidene-lambda6-sulfane is sourced from PubChem (CID 19596119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).