4-(5-fluoro-2-methoxyphenyl)-2-propan-2-yloxan-4-ol

C15H21FO3 — CID 82770391

IUPAC4-(5-fluoro-2-methoxyphenyl)-2-propan-2-yloxan-4-ol
SMILESCOc1ccc(F)cc1C1(O)CCOC(C(C)C)C1
InChIInChI=1S/C15H21FO3/c1-10(2)14-9-15(17,6-7-19-14)12-8-11(16)4-5-13(12)18-3/h4-5,8,10,14,17H,6-7,9H2,1-3H3
InChIKeySTWRNRQOYZWYDA-UHFFFAOYSA-N
MW268.33 g/mol
LogP2.86
Rot. Bonds3

About 4-(5-fluoro-2-methoxyphenyl)-2-propan-2-yloxan-4-ol

4-(5-fluoro-2-methoxyphenyl)-2-propan-2-yloxan-4-ol (PubChem CID 82770391) has the molecular formula C15H21FO3 and a molecular weight of 268.33 g/mol. Its IUPAC name is 4-(5-fluoro-2-methoxyphenyl)-2-propan-2-yloxan-4-ol.

Molecular Properties

Compound Name4-(5-fluoro-2-methoxyphenyl)-2-propan-2-yloxan-4-ol
PubChem CID82770391
Molecular FormulaC15H21FO3
Molecular Weight268.33 g/mol
Exact Mass268.15
IUPAC Name4-(5-fluoro-2-methoxyphenyl)-2-propan-2-yloxan-4-ol
SMILESCOc1ccc(F)cc1C1(O)CCOC(C(C)C)C1
InChIInChI=1S/C15H21FO3/c1-10(2)14-9-15(17,6-7-19-14)12-8-11(16)4-5-13(12)18-3/h4-5,8,10,14,17H,6-7,9H2,1-3H3
InChIKeySTWRNRQOYZWYDA-UHFFFAOYSA-N
XLogP2.86
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-methoxyphenyl)-2-propan-2-yloxan-4-ol?
The IUPAC name of 4-(5-fluoro-2-methoxyphenyl)-2-propan-2-yloxan-4-ol (CID 82770391) is 4-(5-fluoro-2-methoxyphenyl)-2-propan-2-yloxan-4-ol.
What is the SMILES notation for 4-(5-fluoro-2-methoxyphenyl)-2-propan-2-yloxan-4-ol?
The canonical SMILES for 4-(5-fluoro-2-methoxyphenyl)-2-propan-2-yloxan-4-ol is COc1ccc(F)cc1C1(O)CCOC(C(C)C)C1.
What is the InChIKey of 4-(5-fluoro-2-methoxyphenyl)-2-propan-2-yloxan-4-ol?
The InChIKey is STWRNRQOYZWYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FO3/c1-10(2)14-9-15(17,6-7-19-14)12-8-11(16)4-5-13(12)18-3/h4-5,8,10,14,17H,6-7,9H2,1-3H3.
What are the key properties of 4-(5-fluoro-2-methoxyphenyl)-2-propan-2-yloxan-4-ol?
4-(5-fluoro-2-methoxyphenyl)-2-propan-2-yloxan-4-ol has a molecular weight of 268.33 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-methoxyphenyl)-2-propan-2-yloxan-4-ol is sourced from PubChem (CID 82770391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).