2-[3-[(2E)-2-ethenylpenta-2,4-dienoxy]phenyl]prop-2-en-1-ol

C16H18O2 — CID 144859398

IUPAC2-[3-[(2E)-2-ethenylpenta-2,4-dienoxy]phenyl]prop-2-en-1-ol
SMILESC=C/C=C(\C=C)COc1cccc(C(=C)CO)c1
InChIInChI=1S/C16H18O2/c1-4-7-14(5-2)12-18-16-9-6-8-15(10-16)13(3)11-17/h4-10,17H,1-3,11-12H2/b14-7+
InChIKeyOUWTVHBAVOHHCS-VGOFMYFVSA-N
MW242.32 g/mol
LogP3.37
Rot. Bonds7

About 2-[3-[(2E)-2-ethenylpenta-2,4-dienoxy]phenyl]prop-2-en-1-ol

2-[3-[(2E)-2-ethenylpenta-2,4-dienoxy]phenyl]prop-2-en-1-ol (PubChem CID 144859398) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[3-[(2E)-2-ethenylpenta-2,4-dienoxy]phenyl]prop-2-en-1-ol.

Molecular Properties

Compound Name2-[3-[(2E)-2-ethenylpenta-2,4-dienoxy]phenyl]prop-2-en-1-ol
PubChem CID144859398
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name2-[3-[(2E)-2-ethenylpenta-2,4-dienoxy]phenyl]prop-2-en-1-ol
SMILESC=C/C=C(\C=C)COc1cccc(C(=C)CO)c1
InChIInChI=1S/C16H18O2/c1-4-7-14(5-2)12-18-16-9-6-8-15(10-16)13(3)11-17/h4-10,17H,1-3,11-12H2/b14-7+
InChIKeyOUWTVHBAVOHHCS-VGOFMYFVSA-N
XLogP3.37
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.37
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 2-[3-[(2E)-2-ethenylpenta-2,4-dienoxy]phenyl]prop-2-en-1-ol?
The IUPAC name of 2-[3-[(2E)-2-ethenylpenta-2,4-dienoxy]phenyl]prop-2-en-1-ol (CID 144859398) is 2-[3-[(2E)-2-ethenylpenta-2,4-dienoxy]phenyl]prop-2-en-1-ol.
What is the SMILES notation for 2-[3-[(2E)-2-ethenylpenta-2,4-dienoxy]phenyl]prop-2-en-1-ol?
The canonical SMILES for 2-[3-[(2E)-2-ethenylpenta-2,4-dienoxy]phenyl]prop-2-en-1-ol is C=C/C=C(\C=C)COc1cccc(C(=C)CO)c1.
What is the InChIKey of 2-[3-[(2E)-2-ethenylpenta-2,4-dienoxy]phenyl]prop-2-en-1-ol?
The InChIKey is OUWTVHBAVOHHCS-VGOFMYFVSA-N. The full InChI is InChI=1S/C16H18O2/c1-4-7-14(5-2)12-18-16-9-6-8-15(10-16)13(3)11-17/h4-10,17H,1-3,11-12H2/b14-7+.
What are the key properties of 2-[3-[(2E)-2-ethenylpenta-2,4-dienoxy]phenyl]prop-2-en-1-ol?
2-[3-[(2E)-2-ethenylpenta-2,4-dienoxy]phenyl]prop-2-en-1-ol has a molecular weight of 242.32 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2E)-2-ethenylpenta-2,4-dienoxy]phenyl]prop-2-en-1-ol is sourced from PubChem (CID 144859398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).