2-methoxy-3-[(2-methylphenyl)-sulfanylmethyl]phenol

C15H16O2S — CID 173122921

IUPAC2-methoxy-3-[(2-methylphenyl)-sulfanylmethyl]phenol
SMILESCOc1c(O)cccc1C(S)c1ccccc1C
InChIInChI=1S/C15H16O2S/c1-10-6-3-4-7-11(10)15(18)12-8-5-9-13(16)14(12)17-2/h3-9,15-16,18H,1-2H3
InChIKeyURTUOMHTAYQZFL-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.73
Rot. Bonds3

About 2-methoxy-3-[(2-methylphenyl)-sulfanylmethyl]phenol

2-methoxy-3-[(2-methylphenyl)-sulfanylmethyl]phenol (PubChem CID 173122921) has the molecular formula C15H16O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is 2-methoxy-3-[(2-methylphenyl)-sulfanylmethyl]phenol.

Molecular Properties

Compound Name2-methoxy-3-[(2-methylphenyl)-sulfanylmethyl]phenol
PubChem CID173122921
Molecular FormulaC15H16O2S
Molecular Weight260.36 g/mol
Exact Mass260.09
IUPAC Name2-methoxy-3-[(2-methylphenyl)-sulfanylmethyl]phenol
SMILESCOc1c(O)cccc1C(S)c1ccccc1C
InChIInChI=1S/C15H16O2S/c1-10-6-3-4-7-11(10)15(18)12-8-5-9-13(16)14(12)17-2/h3-9,15-16,18H,1-2H3
InChIKeyURTUOMHTAYQZFL-UHFFFAOYSA-N
XLogP3.73
TPSA29.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-(3-hydroxy-2-methoxyphenyl)propane-1,1,1-triol
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3-[(1S,2R)-1-amino-2-hydroxypropyl]-2-methoxyphenol
CID 130664696
ethyl 2-fluoro-2-(3-hydroxy-2-methoxyphenyl)acetate
CID 105485266
2-amino-2-(2-methoxy-3-methylphenyl)acetic acid
CID 82400552
ethane;1-methoxy-4-methylnaphthalen-2-ol
CID 142864573
2-[1-(2-hydroxyphenyl)ethyl]-3-methylphenol
CID 66812750
2-methoxy-1-methyl-3-[(2S)-3-methylbutan-2-yl]benzene
CID 130223867
1-methyl-2-propan-2-ylbenzene;2-methyl-3-propan-2-ylphenol
CID 159173733
[(2,3-dimethoxyphenyl)-(2-methylphenyl)methyl]hydrazine
CID 105286106
3-[fluoro(isocyanato)methyl]-2-methoxyphenol
CID 105450420
ethane;2-methylphenol
CID 54326461
2-[(2-hydroxy-3-methylphenyl)-(2-hydroxyphenyl)methyl]-6-methylphenol
CID 141022269

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[(2-methylphenyl)-sulfanylmethyl]phenol?
The IUPAC name of 2-methoxy-3-[(2-methylphenyl)-sulfanylmethyl]phenol (CID 173122921) is 2-methoxy-3-[(2-methylphenyl)-sulfanylmethyl]phenol.
What is the SMILES notation for 2-methoxy-3-[(2-methylphenyl)-sulfanylmethyl]phenol?
The canonical SMILES for 2-methoxy-3-[(2-methylphenyl)-sulfanylmethyl]phenol is COc1c(O)cccc1C(S)c1ccccc1C.
What is the InChIKey of 2-methoxy-3-[(2-methylphenyl)-sulfanylmethyl]phenol?
The InChIKey is URTUOMHTAYQZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2S/c1-10-6-3-4-7-11(10)15(18)12-8-5-9-13(16)14(12)17-2/h3-9,15-16,18H,1-2H3.
What are the key properties of 2-methoxy-3-[(2-methylphenyl)-sulfanylmethyl]phenol?
2-methoxy-3-[(2-methylphenyl)-sulfanylmethyl]phenol has a molecular weight of 260.36 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[(2-methylphenyl)-sulfanylmethyl]phenol is sourced from PubChem (CID 173122921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).