4-[1-(1-methylsulfanylethyl)cyclopropyl]phenol

C12H16OS — CID 115026103

IUPAC4-[1-(1-methylsulfanylethyl)cyclopropyl]phenol
SMILESCSC(C)C1(c2ccc(O)cc2)CC1
InChIInChI=1S/C12H16OS/c1-9(14-2)12(7-8-12)10-3-5-11(13)6-4-10/h3-6,9,13H,7-8H2,1-2H3
InChIKeyCGTFYMSBJWLGSN-UHFFFAOYSA-N
MW208.33 g/mol
LogP3.18
Rot. Bonds3

About 4-[1-(1-methylsulfanylethyl)cyclopropyl]phenol

4-[1-(1-methylsulfanylethyl)cyclopropyl]phenol (PubChem CID 115026103) has the molecular formula C12H16OS and a molecular weight of 208.33 g/mol. Its IUPAC name is 4-[1-(1-methylsulfanylethyl)cyclopropyl]phenol.

Molecular Properties

Compound Name4-[1-(1-methylsulfanylethyl)cyclopropyl]phenol
PubChem CID115026103
Molecular FormulaC12H16OS
Molecular Weight208.33 g/mol
Exact Mass208.09
IUPAC Name4-[1-(1-methylsulfanylethyl)cyclopropyl]phenol
SMILESCSC(C)C1(c2ccc(O)cc2)CC1
InChIInChI=1S/C12H16OS/c1-9(14-2)12(7-8-12)10-3-5-11(13)6-4-10/h3-6,9,13H,7-8H2,1-2H3
InChIKeyCGTFYMSBJWLGSN-UHFFFAOYSA-N
XLogP3.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(1-methylsulfanylethyl)cyclopropyl]phenol?
The IUPAC name of 4-[1-(1-methylsulfanylethyl)cyclopropyl]phenol (CID 115026103) is 4-[1-(1-methylsulfanylethyl)cyclopropyl]phenol.
What is the SMILES notation for 4-[1-(1-methylsulfanylethyl)cyclopropyl]phenol?
The canonical SMILES for 4-[1-(1-methylsulfanylethyl)cyclopropyl]phenol is CSC(C)C1(c2ccc(O)cc2)CC1.
What is the InChIKey of 4-[1-(1-methylsulfanylethyl)cyclopropyl]phenol?
The InChIKey is CGTFYMSBJWLGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16OS/c1-9(14-2)12(7-8-12)10-3-5-11(13)6-4-10/h3-6,9,13H,7-8H2,1-2H3.
What are the key properties of 4-[1-(1-methylsulfanylethyl)cyclopropyl]phenol?
4-[1-(1-methylsulfanylethyl)cyclopropyl]phenol has a molecular weight of 208.33 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1-methylsulfanylethyl)cyclopropyl]phenol is sourced from PubChem (CID 115026103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).