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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Related Compounds

3-Methoxybenzyl alcohol
CID 81437
3-[[2-(4-Ethoxyphenyl)-2-methylpropoxy]methyl]phenol
CID 139596843
3,4-Dihydro-6-methoxy-2,2-dimethyl-2H-1-benzopyran-4-ol
CID 24252761
4-Hydroxy-3'-methoxybibenzyl
CID 173687
3-m-Anisyl-1-propanol
CID 96130
(+-)-1-(3-Methoxyphenyl)ethanol
CID 90902
3,4-Dihydro-2-methyl-2H-1-benzopyran-6-ol
CID 15729798
8-Fluoro-2-methyl-2-(4-methylpentyl)-3,4-dihydrochromen-6-ol
CID 73051099
2,2,2-Trifluoro-1-(3-methoxyphenyl)ethanol
CID 2829249
2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-ol
CID 3490799
5-methyl-3,4-dihydro-2H-1-benzopyran-4-ol
CID 57432319
3-Methoxy-alpha-methylbenzyl alcohol, (+)-
CID 10219539

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).