(2-ethoxy-3-methylsulfanylphenyl)methanol

C10H14O2S — CID 118269349

IUPAC(2-ethoxy-3-methylsulfanylphenyl)methanol
SMILESCCOc1c(CO)cccc1SC
InChIInChI=1S/C10H14O2S/c1-3-12-10-8(7-11)5-4-6-9(10)13-2/h4-6,11H,3,7H2,1-2H3
InChIKeyGXQDGLULTNKFQV-UHFFFAOYSA-N
MW198.29 g/mol
LogP2.30
Rot. Bonds4

About (2-ethoxy-3-methylsulfanylphenyl)methanol

(2-ethoxy-3-methylsulfanylphenyl)methanol (PubChem CID 118269349) has the molecular formula C10H14O2S and a molecular weight of 198.29 g/mol. Its IUPAC name is (2-ethoxy-3-methylsulfanylphenyl)methanol.

Molecular Properties

Compound Name(2-ethoxy-3-methylsulfanylphenyl)methanol
PubChem CID118269349
Molecular FormulaC10H14O2S
Molecular Weight198.29 g/mol
Exact Mass198.07
IUPAC Name(2-ethoxy-3-methylsulfanylphenyl)methanol
SMILESCCOc1c(CO)cccc1SC
InChIInChI=1S/C10H14O2S/c1-3-12-10-8(7-11)5-4-6-9(10)13-2/h4-6,11H,3,7H2,1-2H3
InChIKeyGXQDGLULTNKFQV-UHFFFAOYSA-N
XLogP2.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-ethoxy-3-(hydroxymethyl)phenyl]methanol
CID 118269330
2-bromo-1-(2-ethoxy-3-methylsulfanylphenyl)propan-1-one
CID 134618681
methyl 2-ethoxy-3-(hydroxymethyl)benzoate
CID 118269212
[3-ethoxy-2-(2-methylbutoxy)phenyl]methanol
CID 62103842
[3-ethoxy-2-(methoxymethoxy)phenyl]methanol
CID 65364783
1-[2-ethoxy-3-(trifluoromethylsulfanyl)phenyl]propan-2-one
CID 166640944
(2-cyclopropyl-3-methylsulfanylphenyl)methanol
CID 118269154
5-methylsulfanylnaphthalen-1-ol
CID 130033866
[3-ethoxy-2-(2,2,2-trifluoroethoxy)phenyl]methanol
CID 43366753
2-ethoxy-1,3-dipropylbenzene
CID 14665558
2-[2-ethoxy-6-(hydroxymethyl)phenoxy]cyclopentan-1-ol
CID 60884406
1-(ethoxymethyl)-2-methylsulfanylbenzene
CID 91470135

Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-3-methylsulfanylphenyl)methanol?
The IUPAC name of (2-ethoxy-3-methylsulfanylphenyl)methanol (CID 118269349) is (2-ethoxy-3-methylsulfanylphenyl)methanol.
What is the SMILES notation for (2-ethoxy-3-methylsulfanylphenyl)methanol?
The canonical SMILES for (2-ethoxy-3-methylsulfanylphenyl)methanol is CCOc1c(CO)cccc1SC.
What is the InChIKey of (2-ethoxy-3-methylsulfanylphenyl)methanol?
The InChIKey is GXQDGLULTNKFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2S/c1-3-12-10-8(7-11)5-4-6-9(10)13-2/h4-6,11H,3,7H2,1-2H3.
What are the key properties of (2-ethoxy-3-methylsulfanylphenyl)methanol?
(2-ethoxy-3-methylsulfanylphenyl)methanol has a molecular weight of 198.29 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-3-methylsulfanylphenyl)methanol is sourced from PubChem (CID 118269349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).