(2R)-1-(3-methoxyphenyl)sulfanylpropan-2-ol

C10H14O2S — CID 106933261

IUPAC(2R)-1-(3-methoxyphenyl)sulfanylpropan-2-ol
SMILESCOc1cccc(SC[C@@H](C)O)c1
InChIInChI=1S/C10H14O2S/c1-8(11)7-13-10-5-3-4-9(6-10)12-2/h3-6,8,11H,7H2,1-2H3/t8-/m1/s1
InChIKeyHBHDBPXWPWDPCA-MRVPVSSYSA-N
MW198.29 g/mol
LogP2.17
Rot. Bonds4

About (2R)-1-(3-methoxyphenyl)sulfanylpropan-2-ol

(2R)-1-(3-methoxyphenyl)sulfanylpropan-2-ol (PubChem CID 106933261) has the molecular formula C10H14O2S and a molecular weight of 198.29 g/mol. Its IUPAC name is (2R)-1-(3-methoxyphenyl)sulfanylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-(3-methoxyphenyl)sulfanylpropan-2-ol
PubChem CID106933261
Molecular FormulaC10H14O2S
Molecular Weight198.29 g/mol
Exact Mass198.07
IUPAC Name(2R)-1-(3-methoxyphenyl)sulfanylpropan-2-ol
SMILESCOc1cccc(SC[C@@H](C)O)c1
InChIInChI=1S/C10H14O2S/c1-8(11)7-13-10-5-3-4-9(6-10)12-2/h3-6,8,11H,7H2,1-2H3/t8-/m1/s1
InChIKeyHBHDBPXWPWDPCA-MRVPVSSYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(3-methoxyphenyl)sulfanylethanol
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1-amino-4-(3-methoxyphenyl)sulfanylbutan-2-ol
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2-[3-(hydroxymethyl)phenyl]sulfanyl-1-(3-methoxyphenyl)ethanol
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ethyl 2-(4-methoxyphenyl)-3-(3-methoxyphenyl)sulfanylpropanoate
CID 22123590
1-[4-(2-hydroxypropylsulfanyl)phenyl]sulfanylpropan-2-ol
CID 90842092
2-(3,4-difluorophenyl)sulfanyl-1-(3-methoxyphenyl)ethanol
CID 112725157
3-(3-methoxyphenyl)sulfanyl-N-propan-2-ylpropan-1-amine
CID 61385968
(1R)-1-(3-methoxyphenyl)ethanol
CID 10219539
1-(3-methoxyphenyl)pentane-1,4-diol
CID 81134047

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-methoxyphenyl)sulfanylpropan-2-ol?
The IUPAC name of (2R)-1-(3-methoxyphenyl)sulfanylpropan-2-ol (CID 106933261) is (2R)-1-(3-methoxyphenyl)sulfanylpropan-2-ol.
What is the SMILES notation for (2R)-1-(3-methoxyphenyl)sulfanylpropan-2-ol?
The canonical SMILES for (2R)-1-(3-methoxyphenyl)sulfanylpropan-2-ol is COc1cccc(SC[C@@H](C)O)c1.
What is the InChIKey of (2R)-1-(3-methoxyphenyl)sulfanylpropan-2-ol?
The InChIKey is HBHDBPXWPWDPCA-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H14O2S/c1-8(11)7-13-10-5-3-4-9(6-10)12-2/h3-6,8,11H,7H2,1-2H3/t8-/m1/s1.
What are the key properties of (2R)-1-(3-methoxyphenyl)sulfanylpropan-2-ol?
(2R)-1-(3-methoxyphenyl)sulfanylpropan-2-ol has a molecular weight of 198.29 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3-methoxyphenyl)sulfanylpropan-2-ol is sourced from PubChem (CID 106933261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).