4-(2-hydroxy-3-methoxypropyl)sulfanylphenol

C10H14O3S — CID 63930264

IUPAC4-(2-hydroxy-3-methoxypropyl)sulfanylphenol
SMILESCOCC(O)CSc1ccc(O)cc1
InChIInChI=1S/C10H14O3S/c1-13-6-9(12)7-14-10-4-2-8(11)3-5-10/h2-5,9,11-12H,6-7H2,1H3
InChIKeyWCDBLCWKGGEMES-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.49
Rot. Bonds5

About 4-(2-hydroxy-3-methoxypropyl)sulfanylphenol

4-(2-hydroxy-3-methoxypropyl)sulfanylphenol (PubChem CID 63930264) has the molecular formula C10H14O3S and a molecular weight of 214.29 g/mol. Its IUPAC name is 4-(2-hydroxy-3-methoxypropyl)sulfanylphenol.

Molecular Properties

Compound Name4-(2-hydroxy-3-methoxypropyl)sulfanylphenol
PubChem CID63930264
Molecular FormulaC10H14O3S
Molecular Weight214.29 g/mol
Exact Mass214.07
IUPAC Name4-(2-hydroxy-3-methoxypropyl)sulfanylphenol
SMILESCOCC(O)CSc1ccc(O)cc1
InChIInChI=1S/C10H14O3S/c1-13-6-9(12)7-14-10-4-2-8(11)3-5-10/h2-5,9,11-12H,6-7H2,1H3
InChIKeyWCDBLCWKGGEMES-UHFFFAOYSA-N
XLogP1.49
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(3,4-dimethoxyphenoxy)-2-hydroxypropyl]sulfanylphenol
CID 19981837
1-(4-fluorophenyl)sulfanyl-3-(2-methoxyethoxy)propan-2-ol
CID 106992365
1-(4-bromophenyl)sulfanyl-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106992332
methyl 3-(4-hydroxyphenyl)sulfanyl-2-methylpropanoate
CID 61030599
4-(2-hydroxy-3-naphthalen-1-yloxypropyl)sulfanylphenol
CID 19981814
1-(2-methoxyethoxy)-3-naphthalen-2-ylsulfanylpropan-2-ol
CID 106992405
1-(2-methoxyethoxy)-3-pyridin-4-ylsulfanylpropan-2-ol
CID 106992491
4-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]sulfanylphenol
CID 19981788
1-ethoxy-3-(4-propan-2-ylphenyl)sulfanylpropan-2-ol
CID 63933591
1-phenylsulfanyl-3-propan-2-yloxypropan-2-ol
CID 60670968
1-(2-methoxyethylamino)-3-(4-methoxyphenyl)sulfanylpropan-2-ol
CID 115476235
1-butoxy-3-phenylsulfanylpropan-2-ol
CID 12063877

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxy-3-methoxypropyl)sulfanylphenol?
The IUPAC name of 4-(2-hydroxy-3-methoxypropyl)sulfanylphenol (CID 63930264) is 4-(2-hydroxy-3-methoxypropyl)sulfanylphenol.
What is the SMILES notation for 4-(2-hydroxy-3-methoxypropyl)sulfanylphenol?
The canonical SMILES for 4-(2-hydroxy-3-methoxypropyl)sulfanylphenol is COCC(O)CSc1ccc(O)cc1.
What is the InChIKey of 4-(2-hydroxy-3-methoxypropyl)sulfanylphenol?
The InChIKey is WCDBLCWKGGEMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3S/c1-13-6-9(12)7-14-10-4-2-8(11)3-5-10/h2-5,9,11-12H,6-7H2,1H3.
What are the key properties of 4-(2-hydroxy-3-methoxypropyl)sulfanylphenol?
4-(2-hydroxy-3-methoxypropyl)sulfanylphenol has a molecular weight of 214.29 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxy-3-methoxypropyl)sulfanylphenol is sourced from PubChem (CID 63930264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).