(1R)-1-[4-methoxy-2-(3-phenylprop-2-ynoxy)phenyl]ethanol

C₁₈H₁₈O₃ — CID 82002752

About (1R)-1-[4-methoxy-2-(3-phenylprop-2-ynoxy)phenyl]ethanol

(1R)-1-[4-methoxy-2-(3-phenylprop-2-ynoxy)phenyl]ethanol (PubChem CID 82002752) has the molecular formula C₁₈H₁₈O₃ and a molecular weight of 282.34 g/mol. Its IUPAC name is (1R)-1-[4-methoxy-2-(3-phenylprop-2-ynoxy)phenyl]ethanol.

Molecular Properties

• Compound Name: (1R)-1-[4-methoxy-2-(3-phenylprop-2-ynoxy)phenyl]ethanol
• PubChem CID: 82002752
• Molecular Formula: C₁₈H₁₈O₃
• Molecular Weight: 282.34 g/mol
• Exact Mass: 282.13
• IUPAC Name: (1R)-1-[4-methoxy-2-(3-phenylprop-2-ynoxy)phenyl]ethanol
• SMILES: COc1ccc([C@@H](C)O)c(OCC#Cc2ccccc2)c1
• InChI: InChI=1S/C18H18O3/c1-14(19)17-11-10-16(20-2)13-18(17)21-12-6-9-15-7-4-3-5-8-15/h3-5,7-8,10-11,13-14,19H,12H2,1-2H3/t14-/m1/s1
• InChIKey: DJDQZLXILSONKP-CQSZACIVSA-N
• XLogP: 3.18
• TPSA: 38.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	282.34
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-methoxy-2-(3-phenylprop-2-ynoxy)phenyl]ethanol?

The IUPAC name of (1R)-1-[4-methoxy-2-(3-phenylprop-2-ynoxy)phenyl]ethanol (CID 82002752) is (1R)-1-[4-methoxy-2-(3-phenylprop-2-ynoxy)phenyl]ethanol.

What is the SMILES notation for (1R)-1-[4-methoxy-2-(3-phenylprop-2-ynoxy)phenyl]ethanol?

The canonical SMILES for (1R)-1-[4-methoxy-2-(3-phenylprop-2-ynoxy)phenyl]ethanol is COc1ccc([C@@H](C)O)c(OCC#Cc2ccccc2)c1.

What is the InChIKey of (1R)-1-[4-methoxy-2-(3-phenylprop-2-ynoxy)phenyl]ethanol?

The InChIKey is DJDQZLXILSONKP-CQSZACIVSA-N. The full InChI is InChI=1S/C18H18O3/c1-14(19)17-11-10-16(20-2)13-18(17)21-12-6-9-15-7-4-3-5-8-15/h3-5,7-8,10-11,13-14,19H,12H2,1-2H3/t14-/m1/s1.

What are the key properties of (1R)-1-[4-methoxy-2-(3-phenylprop-2-ynoxy)phenyl]ethanol?

(1R)-1-[4-methoxy-2-(3-phenylprop-2-ynoxy)phenyl]ethanol has a molecular weight of 282.34 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-1-[4-methoxy-2-(3-phenylprop-2-ynoxy)phenyl]ethanol is sourced from PubChem (CID 82002752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 82002752 — identifiers, structure, computed properties (public domain)

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