3-[3-(4-ethoxy-3-fluorophenyl)oxetan-3-yl]propan-1-ol

C14H19FO3 — CID 116871682

IUPAC3-[3-(4-ethoxy-3-fluorophenyl)oxetan-3-yl]propan-1-ol
SMILESCCOc1ccc(C2(CCCO)COC2)cc1F
InChIInChI=1S/C14H19FO3/c1-2-18-13-5-4-11(8-12(13)15)14(6-3-7-16)9-17-10-14/h4-5,8,16H,2-3,6-7,9-10H2,1H3
InChIKeyYLLDFXLBXCFHFL-UHFFFAOYSA-N
MW254.30 g/mol
LogP2.26
Rot. Bonds6

About 3-[3-(4-ethoxy-3-fluorophenyl)oxetan-3-yl]propan-1-ol

3-[3-(4-ethoxy-3-fluorophenyl)oxetan-3-yl]propan-1-ol (PubChem CID 116871682) has the molecular formula C14H19FO3 and a molecular weight of 254.30 g/mol. Its IUPAC name is 3-[3-(4-ethoxy-3-fluorophenyl)oxetan-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[3-(4-ethoxy-3-fluorophenyl)oxetan-3-yl]propan-1-ol
PubChem CID116871682
Molecular FormulaC14H19FO3
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC Name3-[3-(4-ethoxy-3-fluorophenyl)oxetan-3-yl]propan-1-ol
SMILESCCOc1ccc(C2(CCCO)COC2)cc1F
InChIInChI=1S/C14H19FO3/c1-2-18-13-5-4-11(8-12(13)15)14(6-3-7-16)9-17-10-14/h4-5,8,16H,2-3,6-7,9-10H2,1H3
InChIKeyYLLDFXLBXCFHFL-UHFFFAOYSA-N
XLogP2.26
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(3-chloro-4-fluorophenyl)oxetan-3-yl]propan-1-ol
CID 116871701
3-(4-ethoxy-3-fluorophenyl)oxetane-3-carbonitrile
CID 116873153
[1-(4-ethoxy-3-fluorophenyl)cyclohexyl]methanamine
CID 82499353
2-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]-N-methylethanamine
CID 116869656
methyl 3-[(4-ethoxy-3-fluorophenyl)methyl]oxetane-3-carboxylate
CID 116930235
1-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]propan-2-one
CID 116873822
5-[3-(3-hydroxypropyl)oxetan-3-yl]-3H-1,3-benzoxazol-2-one
CID 116871718
4-(dimethylamino)-4-(4-ethoxy-3-fluorophenyl)butan-1-ol
CID 116907790
ethane;1-ethoxy-2,4-difluorobenzene
CID 142043713
1-ethoxy-2-fluoro-4-methylbenzene
CID 21057749
1-(4-ethoxy-3-fluorophenyl)-3-hydroxypropan-1-one
CID 95441414
1-ethoxy-2-fluoro-4-iodobenzene
CID 50998221

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-ethoxy-3-fluorophenyl)oxetan-3-yl]propan-1-ol?
The IUPAC name of 3-[3-(4-ethoxy-3-fluorophenyl)oxetan-3-yl]propan-1-ol (CID 116871682) is 3-[3-(4-ethoxy-3-fluorophenyl)oxetan-3-yl]propan-1-ol.
What is the SMILES notation for 3-[3-(4-ethoxy-3-fluorophenyl)oxetan-3-yl]propan-1-ol?
The canonical SMILES for 3-[3-(4-ethoxy-3-fluorophenyl)oxetan-3-yl]propan-1-ol is CCOc1ccc(C2(CCCO)COC2)cc1F.
What is the InChIKey of 3-[3-(4-ethoxy-3-fluorophenyl)oxetan-3-yl]propan-1-ol?
The InChIKey is YLLDFXLBXCFHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO3/c1-2-18-13-5-4-11(8-12(13)15)14(6-3-7-16)9-17-10-14/h4-5,8,16H,2-3,6-7,9-10H2,1H3.
What are the key properties of 3-[3-(4-ethoxy-3-fluorophenyl)oxetan-3-yl]propan-1-ol?
3-[3-(4-ethoxy-3-fluorophenyl)oxetan-3-yl]propan-1-ol has a molecular weight of 254.30 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-ethoxy-3-fluorophenyl)oxetan-3-yl]propan-1-ol is sourced from PubChem (CID 116871682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).