3-(cyclopropylmethylsulfanyl)phenol

C10H12OS — CID 112623566

IUPAC3-(cyclopropylmethylsulfanyl)phenol
SMILESOc1cccc(SCC2CC2)c1
InChIInChI=1S/C10H12OS/c11-9-2-1-3-10(6-9)12-7-8-4-5-8/h1-3,6,8,11H,4-5,7H2
InChIKeyVTUIFMVWQCDXGO-UHFFFAOYSA-N
MW180.27 g/mol
LogP2.89
Rot. Bonds3

About 3-(cyclopropylmethylsulfanyl)phenol

3-(cyclopropylmethylsulfanyl)phenol (PubChem CID 112623566) has the molecular formula C10H12OS and a molecular weight of 180.27 g/mol. Its IUPAC name is 3-(cyclopropylmethylsulfanyl)phenol.

Molecular Properties

Compound Name3-(cyclopropylmethylsulfanyl)phenol
PubChem CID112623566
Molecular FormulaC10H12OS
Molecular Weight180.27 g/mol
Exact Mass180.06
IUPAC Name3-(cyclopropylmethylsulfanyl)phenol
SMILESOc1cccc(SCC2CC2)c1
InChIInChI=1S/C10H12OS/c11-9-2-1-3-10(6-9)12-7-8-4-5-8/h1-3,6,8,11H,4-5,7H2
InChIKeyVTUIFMVWQCDXGO-UHFFFAOYSA-N
XLogP2.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethylsulfanyl)phenol?
The IUPAC name of 3-(cyclopropylmethylsulfanyl)phenol (CID 112623566) is 3-(cyclopropylmethylsulfanyl)phenol.
What is the SMILES notation for 3-(cyclopropylmethylsulfanyl)phenol?
The canonical SMILES for 3-(cyclopropylmethylsulfanyl)phenol is Oc1cccc(SCC2CC2)c1.
What is the InChIKey of 3-(cyclopropylmethylsulfanyl)phenol?
The InChIKey is VTUIFMVWQCDXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12OS/c11-9-2-1-3-10(6-9)12-7-8-4-5-8/h1-3,6,8,11H,4-5,7H2.
What are the key properties of 3-(cyclopropylmethylsulfanyl)phenol?
3-(cyclopropylmethylsulfanyl)phenol has a molecular weight of 180.27 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethylsulfanyl)phenol is sourced from PubChem (CID 112623566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).