3-methoxy-5-(2-naphthalen-2-yloxyethenyl)phenol

C19H16O3 — CID 75952248

IUPAC3-methoxy-5-(2-naphthalen-2-yloxyethenyl)phenol
SMILESCOc1cc(O)cc(C=COc2ccc3ccccc3c2)c1
InChIInChI=1S/C19H16O3/c1-21-19-11-14(10-17(20)13-19)8-9-22-18-7-6-15-4-2-3-5-16(15)12-18/h2-13,20H,1H3
InChIKeyQOQGRVLUVSTRPT-UHFFFAOYSA-N
MW292.33 g/mol
LogP4.60
Rot. Bonds4

About 3-methoxy-5-(2-naphthalen-2-yloxyethenyl)phenol

3-methoxy-5-(2-naphthalen-2-yloxyethenyl)phenol (PubChem CID 75952248) has the molecular formula C19H16O3 and a molecular weight of 292.33 g/mol. Its IUPAC name is 3-methoxy-5-(2-naphthalen-2-yloxyethenyl)phenol.

Molecular Properties

Compound Name3-methoxy-5-(2-naphthalen-2-yloxyethenyl)phenol
PubChem CID75952248
Molecular FormulaC19H16O3
Molecular Weight292.33 g/mol
Exact Mass292.11
IUPAC Name3-methoxy-5-(2-naphthalen-2-yloxyethenyl)phenol
SMILESCOc1cc(O)cc(C=COc2ccc3ccccc3c2)c1
InChIInChI=1S/C19H16O3/c1-21-19-11-14(10-17(20)13-19)8-9-22-18-7-6-15-4-2-3-5-16(15)12-18/h2-13,20H,1H3
InChIKeyQOQGRVLUVSTRPT-UHFFFAOYSA-N
XLogP4.60
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-methoxy-5-(2-naphthalen-2-yloxyethenyl)phenol?
The IUPAC name of 3-methoxy-5-(2-naphthalen-2-yloxyethenyl)phenol (CID 75952248) is 3-methoxy-5-(2-naphthalen-2-yloxyethenyl)phenol.
What is the SMILES notation for 3-methoxy-5-(2-naphthalen-2-yloxyethenyl)phenol?
The canonical SMILES for 3-methoxy-5-(2-naphthalen-2-yloxyethenyl)phenol is COc1cc(O)cc(C=COc2ccc3ccccc3c2)c1.
What is the InChIKey of 3-methoxy-5-(2-naphthalen-2-yloxyethenyl)phenol?
The InChIKey is QOQGRVLUVSTRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O3/c1-21-19-11-14(10-17(20)13-19)8-9-22-18-7-6-15-4-2-3-5-16(15)12-18/h2-13,20H,1H3.
What are the key properties of 3-methoxy-5-(2-naphthalen-2-yloxyethenyl)phenol?
3-methoxy-5-(2-naphthalen-2-yloxyethenyl)phenol has a molecular weight of 292.33 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-(2-naphthalen-2-yloxyethenyl)phenol is sourced from PubChem (CID 75952248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).