3-[2-(3-hydroxypenta-1,4-dien-3-yl)phenyl]penta-1,4-dien-3-ol

C16H18O2 — CID 154196116

IUPAC3-[2-(3-hydroxypenta-1,4-dien-3-yl)phenyl]penta-1,4-dien-3-ol
SMILESC=CC(O)(C=C)c1ccccc1C(O)(C=C)C=C
InChIInChI=1S/C16H18O2/c1-5-15(17,6-2)13-11-9-10-12-14(13)16(18,7-3)8-4/h5-12,17-18H,1-4H2
InChIKeyPWRZOQJIHBFPJQ-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.81
Rot. Bonds6

About 3-[2-(3-hydroxypenta-1,4-dien-3-yl)phenyl]penta-1,4-dien-3-ol

3-[2-(3-hydroxypenta-1,4-dien-3-yl)phenyl]penta-1,4-dien-3-ol (PubChem CID 154196116) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-[2-(3-hydroxypenta-1,4-dien-3-yl)phenyl]penta-1,4-dien-3-ol.

Molecular Properties

Compound Name3-[2-(3-hydroxypenta-1,4-dien-3-yl)phenyl]penta-1,4-dien-3-ol
PubChem CID154196116
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name3-[2-(3-hydroxypenta-1,4-dien-3-yl)phenyl]penta-1,4-dien-3-ol
SMILESC=CC(O)(C=C)c1ccccc1C(O)(C=C)C=C
InChIInChI=1S/C16H18O2/c1-5-15(17,6-2)13-11-9-10-12-14(13)16(18,7-3)8-4/h5-12,17-18H,1-4H2
InChIKeyPWRZOQJIHBFPJQ-UHFFFAOYSA-N
XLogP2.81
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.81
H-Bond Donors ≤ 52
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 3-[2-(3-hydroxypenta-1,4-dien-3-yl)phenyl]penta-1,4-dien-3-ol?
The IUPAC name of 3-[2-(3-hydroxypenta-1,4-dien-3-yl)phenyl]penta-1,4-dien-3-ol (CID 154196116) is 3-[2-(3-hydroxypenta-1,4-dien-3-yl)phenyl]penta-1,4-dien-3-ol.
What is the SMILES notation for 3-[2-(3-hydroxypenta-1,4-dien-3-yl)phenyl]penta-1,4-dien-3-ol?
The canonical SMILES for 3-[2-(3-hydroxypenta-1,4-dien-3-yl)phenyl]penta-1,4-dien-3-ol is C=CC(O)(C=C)c1ccccc1C(O)(C=C)C=C.
What is the InChIKey of 3-[2-(3-hydroxypenta-1,4-dien-3-yl)phenyl]penta-1,4-dien-3-ol?
The InChIKey is PWRZOQJIHBFPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c1-5-15(17,6-2)13-11-9-10-12-14(13)16(18,7-3)8-4/h5-12,17-18H,1-4H2.
What are the key properties of 3-[2-(3-hydroxypenta-1,4-dien-3-yl)phenyl]penta-1,4-dien-3-ol?
3-[2-(3-hydroxypenta-1,4-dien-3-yl)phenyl]penta-1,4-dien-3-ol has a molecular weight of 242.32 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-hydroxypenta-1,4-dien-3-yl)phenyl]penta-1,4-dien-3-ol is sourced from PubChem (CID 154196116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).