(Z)-1,5-diphenyl-2-sulfanylpent-1-en-3-ol

C17H18OS — CID 134932971

IUPAC(Z)-1,5-diphenyl-2-sulfanylpent-1-en-3-ol
SMILESOC(CCc1ccccc1)/C(S)=C/c1ccccc1
InChIInChI=1S/C17H18OS/c18-16(12-11-14-7-3-1-4-8-14)17(19)13-15-9-5-2-6-10-15/h1-10,13,16,18-19H,11-12H2/b17-13-
InChIKeyCHKMSDJLZOLQIA-LGMDPLHJSA-N
MW270.40 g/mol
LogP3.95
Rot. Bonds5

About (Z)-1,5-diphenyl-2-sulfanylpent-1-en-3-ol

(Z)-1,5-diphenyl-2-sulfanylpent-1-en-3-ol (PubChem CID 134932971) has the molecular formula C17H18OS and a molecular weight of 270.40 g/mol. Its IUPAC name is (Z)-1,5-diphenyl-2-sulfanylpent-1-en-3-ol.

Molecular Properties

Compound Name(Z)-1,5-diphenyl-2-sulfanylpent-1-en-3-ol
PubChem CID134932971
Molecular FormulaC17H18OS
Molecular Weight270.40 g/mol
Exact Mass270.11
IUPAC Name(Z)-1,5-diphenyl-2-sulfanylpent-1-en-3-ol
SMILESOC(CCc1ccccc1)/C(S)=C/c1ccccc1
InChIInChI=1S/C17H18OS/c18-16(12-11-14-7-3-1-4-8-14)17(19)13-15-9-5-2-6-10-15/h1-10,13,16,18-19H,11-12H2/b17-13-
InChIKeyCHKMSDJLZOLQIA-LGMDPLHJSA-N
XLogP3.95
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1,5-diphenyl-2-sulfanylpent-1-en-3-ol?
The IUPAC name of (Z)-1,5-diphenyl-2-sulfanylpent-1-en-3-ol (CID 134932971) is (Z)-1,5-diphenyl-2-sulfanylpent-1-en-3-ol.
What is the SMILES notation for (Z)-1,5-diphenyl-2-sulfanylpent-1-en-3-ol?
The canonical SMILES for (Z)-1,5-diphenyl-2-sulfanylpent-1-en-3-ol is OC(CCc1ccccc1)/C(S)=C/c1ccccc1.
What is the InChIKey of (Z)-1,5-diphenyl-2-sulfanylpent-1-en-3-ol?
The InChIKey is CHKMSDJLZOLQIA-LGMDPLHJSA-N. The full InChI is InChI=1S/C17H18OS/c18-16(12-11-14-7-3-1-4-8-14)17(19)13-15-9-5-2-6-10-15/h1-10,13,16,18-19H,11-12H2/b17-13-.
What are the key properties of (Z)-1,5-diphenyl-2-sulfanylpent-1-en-3-ol?
(Z)-1,5-diphenyl-2-sulfanylpent-1-en-3-ol has a molecular weight of 270.40 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,5-diphenyl-2-sulfanylpent-1-en-3-ol is sourced from PubChem (CID 134932971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).