1-phenylsulfanylhex-5-en-2-ol

C12H16OS — CID 65141970

IUPAC1-phenylsulfanylhex-5-en-2-ol
SMILESC=CCCC(O)CSc1ccccc1
InChIInChI=1S/C12H16OS/c1-2-3-7-11(13)10-14-12-8-5-4-6-9-12/h2,4-6,8-9,11,13H,1,3,7,10H2
InChIKeyISUKHFKRVHUINP-UHFFFAOYSA-N
MW208.33 g/mol
LogP3.11
Rot. Bonds6

About 1-phenylsulfanylhex-5-en-2-ol

1-phenylsulfanylhex-5-en-2-ol (PubChem CID 65141970) has the molecular formula C12H16OS and a molecular weight of 208.33 g/mol. Its IUPAC name is 1-phenylsulfanylhex-5-en-2-ol.

Molecular Properties

Compound Name1-phenylsulfanylhex-5-en-2-ol
PubChem CID65141970
Molecular FormulaC12H16OS
Molecular Weight208.33 g/mol
Exact Mass208.09
IUPAC Name1-phenylsulfanylhex-5-en-2-ol
SMILESC=CCCC(O)CSc1ccccc1
InChIInChI=1S/C12H16OS/c1-2-3-7-11(13)10-14-12-8-5-4-6-9-12/h2,4-6,8-9,11,13H,1,3,7,10H2
InChIKeyISUKHFKRVHUINP-UHFFFAOYSA-N
XLogP3.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-phenylsulfanylhex-5-en-2-ol?
The IUPAC name of 1-phenylsulfanylhex-5-en-2-ol (CID 65141970) is 1-phenylsulfanylhex-5-en-2-ol.
What is the SMILES notation for 1-phenylsulfanylhex-5-en-2-ol?
The canonical SMILES for 1-phenylsulfanylhex-5-en-2-ol is C=CCCC(O)CSc1ccccc1.
What is the InChIKey of 1-phenylsulfanylhex-5-en-2-ol?
The InChIKey is ISUKHFKRVHUINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16OS/c1-2-3-7-11(13)10-14-12-8-5-4-6-9-12/h2,4-6,8-9,11,13H,1,3,7,10H2.
What are the key properties of 1-phenylsulfanylhex-5-en-2-ol?
1-phenylsulfanylhex-5-en-2-ol has a molecular weight of 208.33 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylsulfanylhex-5-en-2-ol is sourced from PubChem (CID 65141970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).