(4-cyclopropyloxyphenyl)-(4-fluoro-3-methoxyphenyl)methanol

C₁₇H₁₇FO₃ — CID 115838349

About (4-cyclopropyloxyphenyl)-(4-fluoro-3-methoxyphenyl)methanol

(4-cyclopropyloxyphenyl)-(4-fluoro-3-methoxyphenyl)methanol (PubChem CID 115838349) has the molecular formula C₁₇H₁₇FO₃ and a molecular weight of 288.32 g/mol. Its IUPAC name is (4-cyclopropyloxyphenyl)-(4-fluoro-3-methoxyphenyl)methanol.

Molecular Properties

• Compound Name: (4-cyclopropyloxyphenyl)-(4-fluoro-3-methoxyphenyl)methanol
• PubChem CID: 115838349
• Molecular Formula: C₁₇H₁₇FO₃
• Molecular Weight: 288.32 g/mol
• Exact Mass: 288.12
• IUPAC Name: (4-cyclopropyloxyphenyl)-(4-fluoro-3-methoxyphenyl)methanol
• SMILES: COc1cc(C(O)c2ccc(OC3CC3)cc2)ccc1F
• InChI: InChI=1S/C17H17FO3/c1-20-16-10-12(4-9-15(16)18)17(19)11-2-5-13(6-3-11)21-14-7-8-14/h2-6,9-10,14,17,19H,7-8H2,1H3
• InChIKey: VRTCVHBZGMIDDM-UHFFFAOYSA-N
• XLogP: 3.46
• TPSA: 38.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	288.32
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyloxyphenyl)-(4-fluoro-3-methoxyphenyl)methanol?

The IUPAC name of (4-cyclopropyloxyphenyl)-(4-fluoro-3-methoxyphenyl)methanol (CID 115838349) is (4-cyclopropyloxyphenyl)-(4-fluoro-3-methoxyphenyl)methanol.

What is the SMILES notation for (4-cyclopropyloxyphenyl)-(4-fluoro-3-methoxyphenyl)methanol?

The canonical SMILES for (4-cyclopropyloxyphenyl)-(4-fluoro-3-methoxyphenyl)methanol is COc1cc(C(O)c2ccc(OC3CC3)cc2)ccc1F.

What is the InChIKey of (4-cyclopropyloxyphenyl)-(4-fluoro-3-methoxyphenyl)methanol?

The InChIKey is VRTCVHBZGMIDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO3/c1-20-16-10-12(4-9-15(16)18)17(19)11-2-5-13(6-3-11)21-14-7-8-14/h2-6,9-10,14,17,19H,7-8H2,1H3.

What are the key properties of (4-cyclopropyloxyphenyl)-(4-fluoro-3-methoxyphenyl)methanol?

(4-cyclopropyloxyphenyl)-(4-fluoro-3-methoxyphenyl)methanol has a molecular weight of 288.32 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (4-cyclopropyloxyphenyl)-(4-fluoro-3-methoxyphenyl)methanol is sourced from PubChem (CID 115838349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 115838349 — identifiers, structure, computed properties (public domain)

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