(1-methoxy-2-phenoxyethenyl)benzene

C15H14O2 — CID 164530223

IUPAC(1-methoxy-2-phenoxyethenyl)benzene
SMILESCOC(=COc1ccccc1)c1ccccc1
InChIInChI=1S/C15H14O2/c1-16-15(13-8-4-2-5-9-13)12-17-14-10-6-3-7-11-14/h2-12H,1H3
InChIKeyNSTHVHMMDGMSTC-UHFFFAOYSA-N
MW226.28 g/mol
LogP3.71
Rot. Bonds4

About (1-methoxy-2-phenoxyethenyl)benzene

(1-methoxy-2-phenoxyethenyl)benzene (PubChem CID 164530223) has the molecular formula C15H14O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is (1-methoxy-2-phenoxyethenyl)benzene.

Molecular Properties

Compound Name(1-methoxy-2-phenoxyethenyl)benzene
PubChem CID164530223
Molecular FormulaC15H14O2
Molecular Weight226.28 g/mol
Exact Mass226.10
IUPAC Name(1-methoxy-2-phenoxyethenyl)benzene
SMILESCOC(=COc1ccccc1)c1ccccc1
InChIInChI=1S/C15H14O2/c1-16-15(13-8-4-2-5-9-13)12-17-14-10-6-3-7-11-14/h2-12H,1H3
InChIKeyNSTHVHMMDGMSTC-UHFFFAOYSA-N
XLogP3.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-methoxy-2-phenoxyethenyl)benzene?
The IUPAC name of (1-methoxy-2-phenoxyethenyl)benzene (CID 164530223) is (1-methoxy-2-phenoxyethenyl)benzene.
What is the SMILES notation for (1-methoxy-2-phenoxyethenyl)benzene?
The canonical SMILES for (1-methoxy-2-phenoxyethenyl)benzene is COC(=COc1ccccc1)c1ccccc1.
What is the InChIKey of (1-methoxy-2-phenoxyethenyl)benzene?
The InChIKey is NSTHVHMMDGMSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2/c1-16-15(13-8-4-2-5-9-13)12-17-14-10-6-3-7-11-14/h2-12H,1H3.
What are the key properties of (1-methoxy-2-phenoxyethenyl)benzene?
(1-methoxy-2-phenoxyethenyl)benzene has a molecular weight of 226.28 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxy-2-phenoxyethenyl)benzene is sourced from PubChem (CID 164530223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).