(2-methoxy-6-sulfanylphenyl)methanol

C8H10O2S — CID 130129836

IUPAC(2-methoxy-6-sulfanylphenyl)methanol
SMILESCOc1cccc(S)c1CO
InChIInChI=1S/C8H10O2S/c1-10-7-3-2-4-8(11)6(7)5-9/h2-4,9,11H,5H2,1H3
InChIKeyDPLFMEQUXMBSJI-UHFFFAOYSA-N
MW170.23 g/mol
LogP1.48
Rot. Bonds2

About (2-methoxy-6-sulfanylphenyl)methanol

(2-methoxy-6-sulfanylphenyl)methanol (PubChem CID 130129836) has the molecular formula C8H10O2S and a molecular weight of 170.23 g/mol. Its IUPAC name is (2-methoxy-6-sulfanylphenyl)methanol.

Molecular Properties

Compound Name(2-methoxy-6-sulfanylphenyl)methanol
PubChem CID130129836
Molecular FormulaC8H10O2S
Molecular Weight170.23 g/mol
Exact Mass170.04
IUPAC Name(2-methoxy-6-sulfanylphenyl)methanol
SMILESCOc1cccc(S)c1CO
InChIInChI=1S/C8H10O2S/c1-10-7-3-2-4-8(11)6(7)5-9/h2-4,9,11H,5H2,1H3
InChIKeyDPLFMEQUXMBSJI-UHFFFAOYSA-N
XLogP1.48
TPSA29.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 51.48
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-methoxy-6-(trifluoromethoxy)phenyl]methanol
CID 134638773
CID 140659605
CID 140659605
2-methoxybenzenethiol;sulfane
CID 141393821
(3,6-dimethoxy-2-propan-2-ylphenyl)methanol
CID 84677821
(2,3-dichloro-6-methoxyphenyl)methanol
CID 130133361
[2-[(2-chloro-1-methoxyethyl)amino]-6-methoxyphenyl]methanol
CID 137382720
1,3-dimethoxy-2-(methoxymethyl)benzene
CID 86183606
2-(2-methoxy-6-methylphenyl)ethanol
CID 15742838
(2-methoxy-6-thiophen-3-ylphenyl)methanol
CID 172650507
[2-chloro-6-(2-methoxyphenyl)sulfanylphenyl]methanol
CID 63835528
(E)-3-[2-(hydroxymethyl)-3-methoxyphenyl]prop-2-enoic acid
CID 153427172
1-(2-ethoxy-6-methoxyphenyl)propan-2-ol
CID 117300607

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-6-sulfanylphenyl)methanol?
The IUPAC name of (2-methoxy-6-sulfanylphenyl)methanol (CID 130129836) is (2-methoxy-6-sulfanylphenyl)methanol.
What is the SMILES notation for (2-methoxy-6-sulfanylphenyl)methanol?
The canonical SMILES for (2-methoxy-6-sulfanylphenyl)methanol is COc1cccc(S)c1CO.
What is the InChIKey of (2-methoxy-6-sulfanylphenyl)methanol?
The InChIKey is DPLFMEQUXMBSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2S/c1-10-7-3-2-4-8(11)6(7)5-9/h2-4,9,11H,5H2,1H3.
What are the key properties of (2-methoxy-6-sulfanylphenyl)methanol?
(2-methoxy-6-sulfanylphenyl)methanol has a molecular weight of 170.23 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-6-sulfanylphenyl)methanol is sourced from PubChem (CID 130129836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).