(2E,4E)-3-methyl-5-(2-phenylthiophen-3-yl)penta-2,4-dien-1-ol

C16H16OS — CID 11149541

IUPAC(2E,4E)-3-methyl-5-(2-phenylthiophen-3-yl)penta-2,4-dien-1-ol
SMILESCC(/C=C/c1ccsc1-c1ccccc1)=C\CO
InChIInChI=1S/C16H16OS/c1-13(9-11-17)7-8-15-10-12-18-16(15)14-5-3-2-4-6-14/h2-10,12,17H,11H2,1H3/b8-7+,13-9+
InChIKeyJKSGELRSKCWGKY-NJHPPEEMSA-N
MW256.37 g/mol
LogP4.37
Rot. Bonds4

About (2E,4E)-3-methyl-5-(2-phenylthiophen-3-yl)penta-2,4-dien-1-ol

(2E,4E)-3-methyl-5-(2-phenylthiophen-3-yl)penta-2,4-dien-1-ol (PubChem CID 11149541) has the molecular formula C16H16OS and a molecular weight of 256.37 g/mol. Its IUPAC name is (2E,4E)-3-methyl-5-(2-phenylthiophen-3-yl)penta-2,4-dien-1-ol.

Molecular Properties

Compound Name(2E,4E)-3-methyl-5-(2-phenylthiophen-3-yl)penta-2,4-dien-1-ol
PubChem CID11149541
Molecular FormulaC16H16OS
Molecular Weight256.37 g/mol
Exact Mass256.09
IUPAC Name(2E,4E)-3-methyl-5-(2-phenylthiophen-3-yl)penta-2,4-dien-1-ol
SMILESCC(/C=C/c1ccsc1-c1ccccc1)=C\CO
InChIInChI=1S/C16H16OS/c1-13(9-11-17)7-8-15-10-12-18-16(15)14-5-3-2-4-6-14/h2-10,12,17H,11H2,1H3/b8-7+,13-9+
InChIKeyJKSGELRSKCWGKY-NJHPPEEMSA-N
XLogP4.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-3-methyl-5-(2-phenylthiophen-3-yl)penta-2,4-dien-1-ol?
The IUPAC name of (2E,4E)-3-methyl-5-(2-phenylthiophen-3-yl)penta-2,4-dien-1-ol (CID 11149541) is (2E,4E)-3-methyl-5-(2-phenylthiophen-3-yl)penta-2,4-dien-1-ol.
What is the SMILES notation for (2E,4E)-3-methyl-5-(2-phenylthiophen-3-yl)penta-2,4-dien-1-ol?
The canonical SMILES for (2E,4E)-3-methyl-5-(2-phenylthiophen-3-yl)penta-2,4-dien-1-ol is CC(/C=C/c1ccsc1-c1ccccc1)=C\CO.
What is the InChIKey of (2E,4E)-3-methyl-5-(2-phenylthiophen-3-yl)penta-2,4-dien-1-ol?
The InChIKey is JKSGELRSKCWGKY-NJHPPEEMSA-N. The full InChI is InChI=1S/C16H16OS/c1-13(9-11-17)7-8-15-10-12-18-16(15)14-5-3-2-4-6-14/h2-10,12,17H,11H2,1H3/b8-7+,13-9+.
What are the key properties of (2E,4E)-3-methyl-5-(2-phenylthiophen-3-yl)penta-2,4-dien-1-ol?
(2E,4E)-3-methyl-5-(2-phenylthiophen-3-yl)penta-2,4-dien-1-ol has a molecular weight of 256.37 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-3-methyl-5-(2-phenylthiophen-3-yl)penta-2,4-dien-1-ol is sourced from PubChem (CID 11149541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).