4-(2-fluoro-3-methoxyphenyl)-2,6-dimethyloxan-4-ol

C14H19FO3 — CID 82808469

IUPAC4-(2-fluoro-3-methoxyphenyl)-2,6-dimethyloxan-4-ol
SMILESCOc1cccc(C2(O)CC(C)OC(C)C2)c1F
InChIInChI=1S/C14H19FO3/c1-9-7-14(16,8-10(2)18-9)11-5-4-6-12(17-3)13(11)15/h4-6,9-10,16H,7-8H2,1-3H3
InChIKeyANXISNUGQKJQSB-UHFFFAOYSA-N
MW254.30 g/mol
LogP2.61
Rot. Bonds2

About 4-(2-fluoro-3-methoxyphenyl)-2,6-dimethyloxan-4-ol

4-(2-fluoro-3-methoxyphenyl)-2,6-dimethyloxan-4-ol (PubChem CID 82808469) has the molecular formula C14H19FO3 and a molecular weight of 254.30 g/mol. Its IUPAC name is 4-(2-fluoro-3-methoxyphenyl)-2,6-dimethyloxan-4-ol.

Molecular Properties

Compound Name4-(2-fluoro-3-methoxyphenyl)-2,6-dimethyloxan-4-ol
PubChem CID82808469
Molecular FormulaC14H19FO3
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC Name4-(2-fluoro-3-methoxyphenyl)-2,6-dimethyloxan-4-ol
SMILESCOc1cccc(C2(O)CC(C)OC(C)C2)c1F
InChIInChI=1S/C14H19FO3/c1-9-7-14(16,8-10(2)18-9)11-5-4-6-12(17-3)13(11)15/h4-6,9-10,16H,7-8H2,1-3H3
InChIKeyANXISNUGQKJQSB-UHFFFAOYSA-N
XLogP2.61
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-3-methoxyphenyl)-2,6-dimethyloxan-4-ol?
The IUPAC name of 4-(2-fluoro-3-methoxyphenyl)-2,6-dimethyloxan-4-ol (CID 82808469) is 4-(2-fluoro-3-methoxyphenyl)-2,6-dimethyloxan-4-ol.
What is the SMILES notation for 4-(2-fluoro-3-methoxyphenyl)-2,6-dimethyloxan-4-ol?
The canonical SMILES for 4-(2-fluoro-3-methoxyphenyl)-2,6-dimethyloxan-4-ol is COc1cccc(C2(O)CC(C)OC(C)C2)c1F.
What is the InChIKey of 4-(2-fluoro-3-methoxyphenyl)-2,6-dimethyloxan-4-ol?
The InChIKey is ANXISNUGQKJQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO3/c1-9-7-14(16,8-10(2)18-9)11-5-4-6-12(17-3)13(11)15/h4-6,9-10,16H,7-8H2,1-3H3.
What are the key properties of 4-(2-fluoro-3-methoxyphenyl)-2,6-dimethyloxan-4-ol?
4-(2-fluoro-3-methoxyphenyl)-2,6-dimethyloxan-4-ol has a molecular weight of 254.30 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-3-methoxyphenyl)-2,6-dimethyloxan-4-ol is sourced from PubChem (CID 82808469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).