[3-[(4-fluoro-2-methylphenoxy)methyl]oxetan-3-yl]methanol

C12H15FO3 — CID 109395254

IUPAC[3-[(4-fluoro-2-methylphenoxy)methyl]oxetan-3-yl]methanol
SMILESCc1cc(F)ccc1OCC1(CO)COC1
InChIInChI=1S/C12H15FO3/c1-9-4-10(13)2-3-11(9)16-8-12(5-14)6-15-7-12/h2-4,14H,5-8H2,1H3
InChIKeyQRCFIDCWYZVPRI-UHFFFAOYSA-N
MW226.25 g/mol
LogP1.52
Rot. Bonds4

About [3-[(4-fluoro-2-methylphenoxy)methyl]oxetan-3-yl]methanol

[3-[(4-fluoro-2-methylphenoxy)methyl]oxetan-3-yl]methanol (PubChem CID 109395254) has the molecular formula C12H15FO3 and a molecular weight of 226.25 g/mol. Its IUPAC name is [3-[(4-fluoro-2-methylphenoxy)methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[(4-fluoro-2-methylphenoxy)methyl]oxetan-3-yl]methanol
PubChem CID109395254
Molecular FormulaC12H15FO3
Molecular Weight226.25 g/mol
Exact Mass226.10
IUPAC Name[3-[(4-fluoro-2-methylphenoxy)methyl]oxetan-3-yl]methanol
SMILESCc1cc(F)ccc1OCC1(CO)COC1
InChIInChI=1S/C12H15FO3/c1-9-4-10(13)2-3-11(9)16-8-12(5-14)6-15-7-12/h2-4,14H,5-8H2,1H3
InChIKeyQRCFIDCWYZVPRI-UHFFFAOYSA-N
XLogP1.52
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(2-iodo-6-methyl-3-pyridinyl)oxymethyl]oxetan-3-yl]methanol
CID 109468888
[3-[(2,4,5-trichlorophenoxy)methyl]oxetan-3-yl]methanol
CID 111975884
[3-[(2-chloro-3-fluoro-4-pyridinyl)oxymethyl]oxetan-3-yl]methanol
CID 126837351
1-[2-fluoro-4-[[3-(hydroxymethyl)oxetan-3-yl]methoxy]phenyl]ethanone
CID 111975975
ethane;4-fluoro-1-methoxy-2-methylbenzene
CID 143329013
(Z)-but-2-enedioic acid;N,N-dimethyl-1-[3-[(2-methylphenoxy)methyl]oxetan-3-yl]methanamine
CID 6438272
N-(5-fluoro-2-methoxyphenyl)-3-(hydroxymethyl)oxetane-3-carboxamide
CID 115185186
[1-[(5-fluoro-2-methoxyanilino)methyl]cyclobutyl]methanol
CID 115246686
5-(4-fluoro-2-methylphenoxy)pentan-2-one
CID 59148010
2-[(4-fluoro-2-methylphenoxy)methyl]-1-oxaspiro[4.4]nonane
CID 102901535
(2S)-2-amino-4-(4-fluoro-2-methylphenoxy)butanoic acid
CID 58987438
1-[2-[[4-(bromomethyl)oxan-4-yl]methoxy]-4-fluorophenyl]ethanone
CID 65004282

Frequently Asked Questions

What is the IUPAC name of [3-[(4-fluoro-2-methylphenoxy)methyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[(4-fluoro-2-methylphenoxy)methyl]oxetan-3-yl]methanol (CID 109395254) is [3-[(4-fluoro-2-methylphenoxy)methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[(4-fluoro-2-methylphenoxy)methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[(4-fluoro-2-methylphenoxy)methyl]oxetan-3-yl]methanol is Cc1cc(F)ccc1OCC1(CO)COC1.
What is the InChIKey of [3-[(4-fluoro-2-methylphenoxy)methyl]oxetan-3-yl]methanol?
The InChIKey is QRCFIDCWYZVPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO3/c1-9-4-10(13)2-3-11(9)16-8-12(5-14)6-15-7-12/h2-4,14H,5-8H2,1H3.
What are the key properties of [3-[(4-fluoro-2-methylphenoxy)methyl]oxetan-3-yl]methanol?
[3-[(4-fluoro-2-methylphenoxy)methyl]oxetan-3-yl]methanol has a molecular weight of 226.25 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-fluoro-2-methylphenoxy)methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 109395254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).