(E)-1-methoxy-2-phenylethenol

C9H10O2 — CID 13156600

IUPAC(E)-1-methoxy-2-phenylethenol
SMILESCO/C(O)=C/c1ccccc1
InChIInChI=1S/C9H10O2/c1-11-9(10)7-8-5-3-2-4-6-8/h2-7,10H,1H3/b9-7+
InChIKeyGBIIMKXYESADTP-VQHVLOKHSA-N
MW150.18 g/mol
LogP2.19
Rot. Bonds2

About (E)-1-methoxy-2-phenylethenol

(E)-1-methoxy-2-phenylethenol (PubChem CID 13156600) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is (E)-1-methoxy-2-phenylethenol.

Molecular Properties

Compound Name(E)-1-methoxy-2-phenylethenol
PubChem CID13156600
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name(E)-1-methoxy-2-phenylethenol
SMILESCO/C(O)=C/c1ccccc1
InChIInChI=1S/C9H10O2/c1-11-9(10)7-8-5-3-2-4-6-8/h2-7,10H,1H3/b9-7+
InChIKeyGBIIMKXYESADTP-VQHVLOKHSA-N
XLogP2.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 52.19
H-Bond Donors ≤ 51
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 (E)-1-methoxy-2-phenylethenol?
The IUPAC name of (E)-1-methoxy-2-phenylethenol (CID 13156600) is (E)-1-methoxy-2-phenylethenol.
What is the SMILES notation for (E)-1-methoxy-2-phenylethenol?
The canonical SMILES for (E)-1-methoxy-2-phenylethenol is CO/C(O)=C/c1ccccc1.
What is the InChIKey of (E)-1-methoxy-2-phenylethenol?
The InChIKey is GBIIMKXYESADTP-VQHVLOKHSA-N. The full InChI is InChI=1S/C9H10O2/c1-11-9(10)7-8-5-3-2-4-6-8/h2-7,10H,1H3/b9-7+.
What are the key properties of (E)-1-methoxy-2-phenylethenol?
(E)-1-methoxy-2-phenylethenol has a molecular weight of 150.18 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-methoxy-2-phenylethenol is sourced from PubChem (CID 13156600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).