4-[(3-prop-2-enyloxolan-3-yl)methylsulfanyl]phenol

C14H18O2S — CID 59913125

IUPAC4-[(3-prop-2-enyloxolan-3-yl)methylsulfanyl]phenol
SMILESC=CCC1(CSc2ccc(O)cc2)CCOC1
InChIInChI=1S/C14H18O2S/c1-2-7-14(8-9-16-10-14)11-17-13-5-3-12(15)4-6-13/h2-6,15H,1,7-11H2
InChIKeySCVMFUWGUPRMPZ-UHFFFAOYSA-N
MW250.36 g/mol
LogP3.47
Rot. Bonds5

About 4-[(3-prop-2-enyloxolan-3-yl)methylsulfanyl]phenol

4-[(3-prop-2-enyloxolan-3-yl)methylsulfanyl]phenol (PubChem CID 59913125) has the molecular formula C14H18O2S and a molecular weight of 250.36 g/mol. Its IUPAC name is 4-[(3-prop-2-enyloxolan-3-yl)methylsulfanyl]phenol.

Molecular Properties

Compound Name4-[(3-prop-2-enyloxolan-3-yl)methylsulfanyl]phenol
PubChem CID59913125
Molecular FormulaC14H18O2S
Molecular Weight250.36 g/mol
Exact Mass250.10
IUPAC Name4-[(3-prop-2-enyloxolan-3-yl)methylsulfanyl]phenol
SMILESC=CCC1(CSc2ccc(O)cc2)CCOC1
InChIInChI=1S/C14H18O2S/c1-2-7-14(8-9-16-10-14)11-17-13-5-3-12(15)4-6-13/h2-6,15H,1,7-11H2
InChIKeySCVMFUWGUPRMPZ-UHFFFAOYSA-N
XLogP3.47
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-[(3-prop-2-enyloxolan-3-yl)methylsulfanyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(3-prop-2-enyloxolan-3-yl)methylsulfanyl]phenol?
The IUPAC name of 4-[(3-prop-2-enyloxolan-3-yl)methylsulfanyl]phenol (CID 59913125) is 4-[(3-prop-2-enyloxolan-3-yl)methylsulfanyl]phenol.
What is the SMILES notation for 4-[(3-prop-2-enyloxolan-3-yl)methylsulfanyl]phenol?
The canonical SMILES for 4-[(3-prop-2-enyloxolan-3-yl)methylsulfanyl]phenol is C=CCC1(CSc2ccc(O)cc2)CCOC1.
What is the InChIKey of 4-[(3-prop-2-enyloxolan-3-yl)methylsulfanyl]phenol?
The InChIKey is SCVMFUWGUPRMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2S/c1-2-7-14(8-9-16-10-14)11-17-13-5-3-12(15)4-6-13/h2-6,15H,1,7-11H2.
What are the key properties of 4-[(3-prop-2-enyloxolan-3-yl)methylsulfanyl]phenol?
4-[(3-prop-2-enyloxolan-3-yl)methylsulfanyl]phenol has a molecular weight of 250.36 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-prop-2-enyloxolan-3-yl)methylsulfanyl]phenol is sourced from PubChem (CID 59913125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).