2-[3-(hydroxymethyl)phenyl]sulfanyl-1-(3-methoxyphenyl)ethanol

C16H18O3S — CID 81134166

IUPAC2-[3-(hydroxymethyl)phenyl]sulfanyl-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)CSc2cccc(CO)c2)c1
InChIInChI=1S/C16H18O3S/c1-19-14-6-3-5-13(9-14)16(18)11-20-15-7-2-4-12(8-15)10-17/h2-9,16-18H,10-11H2,1H3
InChIKeyBTJRNXRLZSUJRG-UHFFFAOYSA-N
MW290.38 g/mol
LogP3.01
Rot. Bonds6

About 2-[3-(hydroxymethyl)phenyl]sulfanyl-1-(3-methoxyphenyl)ethanol

2-[3-(hydroxymethyl)phenyl]sulfanyl-1-(3-methoxyphenyl)ethanol (PubChem CID 81134166) has the molecular formula C16H18O3S and a molecular weight of 290.38 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)phenyl]sulfanyl-1-(3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)phenyl]sulfanyl-1-(3-methoxyphenyl)ethanol
PubChem CID81134166
Molecular FormulaC16H18O3S
Molecular Weight290.38 g/mol
Exact Mass290.10
IUPAC Name2-[3-(hydroxymethyl)phenyl]sulfanyl-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)CSc2cccc(CO)c2)c1
InChIInChI=1S/C16H18O3S/c1-19-14-6-3-5-13(9-14)16(18)11-20-15-7-2-4-12(8-15)10-17/h2-9,16-18H,10-11H2,1H3
InChIKeyBTJRNXRLZSUJRG-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-difluorophenyl)sulfanyl-1-(3-methoxyphenyl)ethanol
CID 112725157
3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]sulfanylpropane-1,2-diol
CID 81135235
(3-methoxyphenyl)(113C)methanol
CID 11593446
(2R)-1-(3-methoxyphenyl)sulfanylpropan-2-ol
CID 106933261
2-[(3,5-dimethylphenyl)methylsulfanyl]-1-(3-methoxyphenyl)ethanol
CID 81140967
2-[(3-bromo-2-pyridinyl)sulfanyl]-1-(3-methoxyphenyl)ethanol
CID 81136925
[3-[(2-bromo-5-methoxyphenyl)methylsulfanyl]phenyl]methanol
CID 66346606
2-(2-amino-5-methylphenyl)sulfanyl-1-(3-methoxyphenyl)ethanol
CID 81134479
3-(3-methoxyphenyl)sulfanyl-2-methylpropanoic acid
CID 43538137
2-(3-bromophenyl)-1-(3-methoxyphenyl)ethanol
CID 60797863
1-(3-methoxyphenyl)butan-1-ol
CID 2793894
2-(2-amino-5-bromophenyl)sulfanyl-1-(3-methoxyphenyl)ethanol
CID 81133461

Frequently Asked Questions

What is the IUPAC name of 2-[3-(hydroxymethyl)phenyl]sulfanyl-1-(3-methoxyphenyl)ethanol?
The IUPAC name of 2-[3-(hydroxymethyl)phenyl]sulfanyl-1-(3-methoxyphenyl)ethanol (CID 81134166) is 2-[3-(hydroxymethyl)phenyl]sulfanyl-1-(3-methoxyphenyl)ethanol.
What is the SMILES notation for 2-[3-(hydroxymethyl)phenyl]sulfanyl-1-(3-methoxyphenyl)ethanol?
The canonical SMILES for 2-[3-(hydroxymethyl)phenyl]sulfanyl-1-(3-methoxyphenyl)ethanol is COc1cccc(C(O)CSc2cccc(CO)c2)c1.
What is the InChIKey of 2-[3-(hydroxymethyl)phenyl]sulfanyl-1-(3-methoxyphenyl)ethanol?
The InChIKey is BTJRNXRLZSUJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3S/c1-19-14-6-3-5-13(9-14)16(18)11-20-15-7-2-4-12(8-15)10-17/h2-9,16-18H,10-11H2,1H3.
What are the key properties of 2-[3-(hydroxymethyl)phenyl]sulfanyl-1-(3-methoxyphenyl)ethanol?
2-[3-(hydroxymethyl)phenyl]sulfanyl-1-(3-methoxyphenyl)ethanol has a molecular weight of 290.38 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(hydroxymethyl)phenyl]sulfanyl-1-(3-methoxyphenyl)ethanol is sourced from PubChem (CID 81134166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).