2-methoxy-5-(3,4,5-trimethoxyphenyl)sulfanylphenol

C16H18O5S — CID 86291799

IUPAC2-methoxy-5-(3,4,5-trimethoxyphenyl)sulfanylphenol
SMILESCOc1ccc(Sc2cc(OC)c(OC)c(OC)c2)cc1O
InChIInChI=1S/C16H18O5S/c1-18-13-6-5-10(7-12(13)17)22-11-8-14(19-2)16(21-4)15(9-11)20-3/h5-9,17H,1-4H3
InChIKeyGCTXMJRUFRGVJT-UHFFFAOYSA-N
MW322.38 g/mol
LogP3.58
Rot. Bonds6

About 2-methoxy-5-(3,4,5-trimethoxyphenyl)sulfanylphenol

2-methoxy-5-(3,4,5-trimethoxyphenyl)sulfanylphenol (PubChem CID 86291799) has the molecular formula C16H18O5S and a molecular weight of 322.38 g/mol. Its IUPAC name is 2-methoxy-5-(3,4,5-trimethoxyphenyl)sulfanylphenol.

Molecular Properties

Compound Name2-methoxy-5-(3,4,5-trimethoxyphenyl)sulfanylphenol
PubChem CID86291799
Molecular FormulaC16H18O5S
Molecular Weight322.38 g/mol
Exact Mass322.09
IUPAC Name2-methoxy-5-(3,4,5-trimethoxyphenyl)sulfanylphenol
SMILESCOc1ccc(Sc2cc(OC)c(OC)c(OC)c2)cc1O
InChIInChI=1S/C16H18O5S/c1-18-13-6-5-10(7-12(13)17)22-11-8-14(19-2)16(21-4)15(9-11)20-3/h5-9,17H,1-4H3
InChIKeyGCTXMJRUFRGVJT-UHFFFAOYSA-N
XLogP3.58
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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2-methoxy-5-(3,4,5-trimethoxy-N-methylanilino)phenol
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CID 72697645
CID 72697645
(1S,2S)-1-(3-hydroxy-4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethane-1,2-diol
CID 10247286
5-[4,5-dimethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]sulfanyl-2-methoxyphenol
CID 145072351
2-methoxy-5-[(1S,2R)-2-(3,4,5-trimethoxyphenyl)cyclopropyl]phenol
CID 71524985
4-(4-amino-3-methoxyphenyl)sulfanylphenol
CID 91879711
[4-(3,4-dimethoxyphenyl)sulfanyl-2-methoxyphenyl] acetate
CID 122520347
2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)thiophen-2-yl]phenol
CID 44814549
2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)furan-3-yl]phenol
CID 53380486
2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)thiophen-3-yl]phenol
CID 44814730

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(3,4,5-trimethoxyphenyl)sulfanylphenol?
The IUPAC name of 2-methoxy-5-(3,4,5-trimethoxyphenyl)sulfanylphenol (CID 86291799) is 2-methoxy-5-(3,4,5-trimethoxyphenyl)sulfanylphenol.
What is the SMILES notation for 2-methoxy-5-(3,4,5-trimethoxyphenyl)sulfanylphenol?
The canonical SMILES for 2-methoxy-5-(3,4,5-trimethoxyphenyl)sulfanylphenol is COc1ccc(Sc2cc(OC)c(OC)c(OC)c2)cc1O.
What is the InChIKey of 2-methoxy-5-(3,4,5-trimethoxyphenyl)sulfanylphenol?
The InChIKey is GCTXMJRUFRGVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O5S/c1-18-13-6-5-10(7-12(13)17)22-11-8-14(19-2)16(21-4)15(9-11)20-3/h5-9,17H,1-4H3.
What are the key properties of 2-methoxy-5-(3,4,5-trimethoxyphenyl)sulfanylphenol?
2-methoxy-5-(3,4,5-trimethoxyphenyl)sulfanylphenol has a molecular weight of 322.38 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(3,4,5-trimethoxyphenyl)sulfanylphenol is sourced from PubChem (CID 86291799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).