2-(3-hydroxy-2-phenylsulfanylpropyl)-6-methoxyphenol

C16H18O3S — CID 14468411

IUPAC2-(3-hydroxy-2-phenylsulfanylpropyl)-6-methoxyphenol
SMILESCOc1cccc(CC(CO)Sc2ccccc2)c1O
InChIInChI=1S/C16H18O3S/c1-19-15-9-5-6-12(16(15)18)10-14(11-17)20-13-7-3-2-4-8-13/h2-9,14,17-18H,10-11H2,1H3
InChIKeyBVXBQYMUBCEAJS-UHFFFAOYSA-N
MW290.38 g/mol
LogP3.10
Rot. Bonds6

About 2-(3-hydroxy-2-phenylsulfanylpropyl)-6-methoxyphenol

2-(3-hydroxy-2-phenylsulfanylpropyl)-6-methoxyphenol (PubChem CID 14468411) has the molecular formula C16H18O3S and a molecular weight of 290.38 g/mol. Its IUPAC name is 2-(3-hydroxy-2-phenylsulfanylpropyl)-6-methoxyphenol.

Molecular Properties

Compound Name2-(3-hydroxy-2-phenylsulfanylpropyl)-6-methoxyphenol
PubChem CID14468411
Molecular FormulaC16H18O3S
Molecular Weight290.38 g/mol
Exact Mass290.10
IUPAC Name2-(3-hydroxy-2-phenylsulfanylpropyl)-6-methoxyphenol
SMILESCOc1cccc(CC(CO)Sc2ccccc2)c1O
InChIInChI=1S/C16H18O3S/c1-19-15-9-5-6-12(16(15)18)10-14(11-17)20-13-7-3-2-4-8-13/h2-9,14,17-18H,10-11H2,1H3
InChIKeyBVXBQYMUBCEAJS-UHFFFAOYSA-N
XLogP3.10
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-6-(2-sulfanylpropyl)phenol
CID 137432074
2-methoxy-6-[2-(methylamino)propyl]phenol
CID 68884486
3-(2-methoxyphenyl)-2-phenylsulfanylpropanoic acid
CID 133240979
3-phenyl-2-phenylsulfanylpropan-1-ol
CID 14744646
2-methoxy-6-(2-methylpent-3-ynyl)phenol
CID 83930653
2-methoxy-6-(phosphanylmethyl)phenol
CID 155024507
2-[[4-(difluoromethylsulfanyl)anilino]methyl]-6-methoxyphenol
CID 43673138
[3-(2-hydroxy-3-methoxyphenyl)-2-methylpropyl] thiocyanate
CID 112718399
3-(2-hydroxy-3-methoxyphenyl)-2-(4-hydroxyphenyl)propanoic acid
CID 83954988
2-(4-fluorophenyl)-3-(2-hydroxy-3-methoxyphenyl)propanoic acid
CID 82160886
1-(2-methoxyphenyl)-3-phenylsulfanylpropan-2-ol
CID 65142108
2-methoxy-6-(2-methylhex-3-ynyl)phenol
CID 83930654

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-2-phenylsulfanylpropyl)-6-methoxyphenol?
The IUPAC name of 2-(3-hydroxy-2-phenylsulfanylpropyl)-6-methoxyphenol (CID 14468411) is 2-(3-hydroxy-2-phenylsulfanylpropyl)-6-methoxyphenol.
What is the SMILES notation for 2-(3-hydroxy-2-phenylsulfanylpropyl)-6-methoxyphenol?
The canonical SMILES for 2-(3-hydroxy-2-phenylsulfanylpropyl)-6-methoxyphenol is COc1cccc(CC(CO)Sc2ccccc2)c1O.
What is the InChIKey of 2-(3-hydroxy-2-phenylsulfanylpropyl)-6-methoxyphenol?
The InChIKey is BVXBQYMUBCEAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3S/c1-19-15-9-5-6-12(16(15)18)10-14(11-17)20-13-7-3-2-4-8-13/h2-9,14,17-18H,10-11H2,1H3.
What are the key properties of 2-(3-hydroxy-2-phenylsulfanylpropyl)-6-methoxyphenol?
2-(3-hydroxy-2-phenylsulfanylpropyl)-6-methoxyphenol has a molecular weight of 290.38 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-2-phenylsulfanylpropyl)-6-methoxyphenol is sourced from PubChem (CID 14468411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).