(2E)-2-(2-methyl-5-propylphenyl)penta-2,4-dien-1-ol

C15H20O — CID 89354986

IUPAC(2E)-2-(2-methyl-5-propylphenyl)penta-2,4-dien-1-ol
SMILESC=C/C=C(/CO)c1cc(CCC)ccc1C
InChIInChI=1S/C15H20O/c1-4-6-13-9-8-12(3)15(10-13)14(11-16)7-5-2/h5,7-10,16H,2,4,6,11H2,1,3H3/b14-7-
InChIKeyNDZJJSNIMBHLDP-AUWJEWJLSA-N
MW216.32 g/mol
LogP3.51
Rot. Bonds5

About (2E)-2-(2-methyl-5-propylphenyl)penta-2,4-dien-1-ol

(2E)-2-(2-methyl-5-propylphenyl)penta-2,4-dien-1-ol (PubChem CID 89354986) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is (2E)-2-(2-methyl-5-propylphenyl)penta-2,4-dien-1-ol.

Molecular Properties

Compound Name(2E)-2-(2-methyl-5-propylphenyl)penta-2,4-dien-1-ol
PubChem CID89354986
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name(2E)-2-(2-methyl-5-propylphenyl)penta-2,4-dien-1-ol
SMILESC=C/C=C(/CO)c1cc(CCC)ccc1C
InChIInChI=1S/C15H20O/c1-4-6-13-9-8-12(3)15(10-13)14(11-16)7-5-2/h5,7-10,16H,2,4,6,11H2,1,3H3/b14-7-
InChIKeyNDZJJSNIMBHLDP-AUWJEWJLSA-N
XLogP3.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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)-2-(2-methyl-5-propylphenyl)penta-2,4-dien-1-ol?
The IUPAC name of (2E)-2-(2-methyl-5-propylphenyl)penta-2,4-dien-1-ol (CID 89354986) is (2E)-2-(2-methyl-5-propylphenyl)penta-2,4-dien-1-ol.
What is the SMILES notation for (2E)-2-(2-methyl-5-propylphenyl)penta-2,4-dien-1-ol?
The canonical SMILES for (2E)-2-(2-methyl-5-propylphenyl)penta-2,4-dien-1-ol is C=C/C=C(/CO)c1cc(CCC)ccc1C.
What is the InChIKey of (2E)-2-(2-methyl-5-propylphenyl)penta-2,4-dien-1-ol?
The InChIKey is NDZJJSNIMBHLDP-AUWJEWJLSA-N. The full InChI is InChI=1S/C15H20O/c1-4-6-13-9-8-12(3)15(10-13)14(11-16)7-5-2/h5,7-10,16H,2,4,6,11H2,1,3H3/b14-7-.
What are the key properties of (2E)-2-(2-methyl-5-propylphenyl)penta-2,4-dien-1-ol?
(2E)-2-(2-methyl-5-propylphenyl)penta-2,4-dien-1-ol has a molecular weight of 216.32 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(2-methyl-5-propylphenyl)penta-2,4-dien-1-ol is sourced from PubChem (CID 89354986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).