3-(cyclopropylmethoxymethylsulfanyl)phenol

C11H14O2S — CID 106930422

IUPAC3-(cyclopropylmethoxymethylsulfanyl)phenol
SMILESOc1cccc(SCOCC2CC2)c1
InChIInChI=1S/C11H14O2S/c12-10-2-1-3-11(6-10)14-8-13-7-9-4-5-9/h1-3,6,9,12H,4-5,7-8H2
InChIKeyHJEACDIOCXIBGE-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.87
Rot. Bonds5

About 3-(cyclopropylmethoxymethylsulfanyl)phenol

3-(cyclopropylmethoxymethylsulfanyl)phenol (PubChem CID 106930422) has the molecular formula C11H14O2S and a molecular weight of 210.30 g/mol. Its IUPAC name is 3-(cyclopropylmethoxymethylsulfanyl)phenol.

Molecular Properties

Compound Name3-(cyclopropylmethoxymethylsulfanyl)phenol
PubChem CID106930422
Molecular FormulaC11H14O2S
Molecular Weight210.30 g/mol
Exact Mass210.07
IUPAC Name3-(cyclopropylmethoxymethylsulfanyl)phenol
SMILESOc1cccc(SCOCC2CC2)c1
InChIInChI=1S/C11H14O2S/c12-10-2-1-3-11(6-10)14-8-13-7-9-4-5-9/h1-3,6,9,12H,4-5,7-8H2
InChIKeyHJEACDIOCXIBGE-UHFFFAOYSA-N
XLogP2.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.87
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)phenyl]methanol
CID 106931186
3-(cyclopropylmethoxymethylsulfanyl)benzoic acid
CID 106929059
3-(cyclopropylmethylsulfanyl)phenol
CID 112623566
3-(phenylmethoxymethylsulfanyl)phenol
CID 102940288
N-[[3-(cyclopropylmethoxymethylsulfanyl)phenyl]methyl]propan-1-amine
CID 106931170
N-[[3-(cyclopropylmethoxymethylsulfanyl)phenyl]methyl]-2-methoxyethanamine
CID 106931174
3-(3-ethoxypropylsulfanyl)phenol
CID 104590102
3-(2-phenylsulfanylethylsulfanyl)phenol
CID 104590604
3-(3-hydroxypropylsulfanyl)phenol
CID 70270540
3-(2-pyrrolidin-2-ylethylsulfanyl)phenol
CID 84688729
3-(2-hydroxypropylsulfanyl)phenol
CID 104590031
3-[(1-methoxycyclobutyl)methylsulfanyl]phenol
CID 126815068

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxymethylsulfanyl)phenol?
The IUPAC name of 3-(cyclopropylmethoxymethylsulfanyl)phenol (CID 106930422) is 3-(cyclopropylmethoxymethylsulfanyl)phenol.
What is the SMILES notation for 3-(cyclopropylmethoxymethylsulfanyl)phenol?
The canonical SMILES for 3-(cyclopropylmethoxymethylsulfanyl)phenol is Oc1cccc(SCOCC2CC2)c1.
What is the InChIKey of 3-(cyclopropylmethoxymethylsulfanyl)phenol?
The InChIKey is HJEACDIOCXIBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2S/c12-10-2-1-3-11(6-10)14-8-13-7-9-4-5-9/h1-3,6,9,12H,4-5,7-8H2.
What are the key properties of 3-(cyclopropylmethoxymethylsulfanyl)phenol?
3-(cyclopropylmethoxymethylsulfanyl)phenol has a molecular weight of 210.30 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxymethylsulfanyl)phenol is sourced from PubChem (CID 106930422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).