1-(2-phenoxyphenyl)buta-1,3-dien-1-ol

C16H14O2 — CID 173462578

IUPAC1-(2-phenoxyphenyl)buta-1,3-dien-1-ol
SMILESC=CC=C(O)c1ccccc1Oc1ccccc1
InChIInChI=1S/C16H14O2/c1-2-8-15(17)14-11-6-7-12-16(14)18-13-9-4-3-5-10-13/h2-12,17H,1H2
InChIKeyOHSFLNMLMGPJMF-UHFFFAOYSA-N
MW238.29 g/mol
LogP4.56
Rot. Bonds4

About 1-(2-phenoxyphenyl)buta-1,3-dien-1-ol

1-(2-phenoxyphenyl)buta-1,3-dien-1-ol (PubChem CID 173462578) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-(2-phenoxyphenyl)buta-1,3-dien-1-ol.

Molecular Properties

Compound Name1-(2-phenoxyphenyl)buta-1,3-dien-1-ol
PubChem CID173462578
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name1-(2-phenoxyphenyl)buta-1,3-dien-1-ol
SMILESC=CC=C(O)c1ccccc1Oc1ccccc1
InChIInChI=1S/C16H14O2/c1-2-8-15(17)14-11-6-7-12-16(14)18-13-9-4-3-5-10-13/h2-12,17H,1H2
InChIKeyOHSFLNMLMGPJMF-UHFFFAOYSA-N
XLogP4.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 1-(2-phenoxyphenyl)buta-1,3-dien-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenoxyphenyl)buta-1,3-dien-1-ol?
The IUPAC name of 1-(2-phenoxyphenyl)buta-1,3-dien-1-ol (CID 173462578) is 1-(2-phenoxyphenyl)buta-1,3-dien-1-ol.
What is the SMILES notation for 1-(2-phenoxyphenyl)buta-1,3-dien-1-ol?
The canonical SMILES for 1-(2-phenoxyphenyl)buta-1,3-dien-1-ol is C=CC=C(O)c1ccccc1Oc1ccccc1.
What is the InChIKey of 1-(2-phenoxyphenyl)buta-1,3-dien-1-ol?
The InChIKey is OHSFLNMLMGPJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2/c1-2-8-15(17)14-11-6-7-12-16(14)18-13-9-4-3-5-10-13/h2-12,17H,1H2.
What are the key properties of 1-(2-phenoxyphenyl)buta-1,3-dien-1-ol?
1-(2-phenoxyphenyl)buta-1,3-dien-1-ol has a molecular weight of 238.29 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenoxyphenyl)buta-1,3-dien-1-ol is sourced from PubChem (CID 173462578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).