[3-(cyclopropylmethoxymethylsulfanyl)phenyl]methanol

C12H16O2S — CID 106931186

IUPAC[3-(cyclopropylmethoxymethylsulfanyl)phenyl]methanol
SMILESOCc1cccc(SCOCC2CC2)c1
InChIInChI=1S/C12H16O2S/c13-7-11-2-1-3-12(6-11)15-9-14-8-10-4-5-10/h1-3,6,10,13H,4-5,7-9H2
InChIKeyCWGSUROOILJFHC-UHFFFAOYSA-N
MW224.32 g/mol
LogP2.66
Rot. Bonds6

About [3-(cyclopropylmethoxymethylsulfanyl)phenyl]methanol

[3-(cyclopropylmethoxymethylsulfanyl)phenyl]methanol (PubChem CID 106931186) has the molecular formula C12H16O2S and a molecular weight of 224.32 g/mol. Its IUPAC name is [3-(cyclopropylmethoxymethylsulfanyl)phenyl]methanol.

Molecular Properties

Compound Name[3-(cyclopropylmethoxymethylsulfanyl)phenyl]methanol
PubChem CID106931186
Molecular FormulaC12H16O2S
Molecular Weight224.32 g/mol
Exact Mass224.09
IUPAC Name[3-(cyclopropylmethoxymethylsulfanyl)phenyl]methanol
SMILESOCc1cccc(SCOCC2CC2)c1
InChIInChI=1S/C12H16O2S/c13-7-11-2-1-3-12(6-11)15-9-14-8-10-4-5-10/h1-3,6,10,13H,4-5,7-9H2
InChIKeyCWGSUROOILJFHC-UHFFFAOYSA-N
XLogP2.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(cyclopropylmethoxymethylsulfanyl)phenol
CID 106930422
N-[[3-(cyclopropylmethoxymethylsulfanyl)phenyl]methyl]propan-1-amine
CID 106931170
3-(cyclopropylmethoxymethylsulfanyl)benzoic acid
CID 106929059
N-[[3-(cyclopropylmethoxymethylsulfanyl)phenyl]methyl]-2-methoxyethanamine
CID 106931174
[3-(cyclopropylmethoxymethoxy)phenyl]methanol
CID 106929767
(3-cyclohexylsulfanylphenyl)methanol
CID 66348157
[3-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]phenyl]methanol
CID 66347197
[3-bromo-4-(cyclopropylmethoxymethoxy)phenyl]methanol
CID 106929795
[3-(hydroxymethyl)phenyl] thiohypochlorite
CID 87965479
[3-(cyclopropylmethoxymethyl)-4-methoxyphenyl]methanol
CID 62017661
N-cyclohexyl-2-[3-(hydroxymethyl)phenyl]sulfanylacetamide
CID 66348936
[3-[2-(dimethylamino)ethylsulfanyl]phenyl]methanol
CID 66347194

Frequently Asked Questions

What is the IUPAC name of [3-(cyclopropylmethoxymethylsulfanyl)phenyl]methanol?
The IUPAC name of [3-(cyclopropylmethoxymethylsulfanyl)phenyl]methanol (CID 106931186) is [3-(cyclopropylmethoxymethylsulfanyl)phenyl]methanol.
What is the SMILES notation for [3-(cyclopropylmethoxymethylsulfanyl)phenyl]methanol?
The canonical SMILES for [3-(cyclopropylmethoxymethylsulfanyl)phenyl]methanol is OCc1cccc(SCOCC2CC2)c1.
What is the InChIKey of [3-(cyclopropylmethoxymethylsulfanyl)phenyl]methanol?
The InChIKey is CWGSUROOILJFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2S/c13-7-11-2-1-3-12(6-11)15-9-14-8-10-4-5-10/h1-3,6,10,13H,4-5,7-9H2.
What are the key properties of [3-(cyclopropylmethoxymethylsulfanyl)phenyl]methanol?
[3-(cyclopropylmethoxymethylsulfanyl)phenyl]methanol has a molecular weight of 224.32 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclopropylmethoxymethylsulfanyl)phenyl]methanol is sourced from PubChem (CID 106931186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).