2-[4-fluoro-3-(methoxymethyl)phenyl]-2-methylpropan-1-ol

C12H17FO2 — CID 117303145

IUPAC2-[4-fluoro-3-(methoxymethyl)phenyl]-2-methylpropan-1-ol
SMILESCOCc1cc(C(C)(C)CO)ccc1F
InChIInChI=1S/C12H17FO2/c1-12(2,8-14)10-4-5-11(13)9(6-10)7-15-3/h4-6,14H,7-8H2,1-3H3
InChIKeyLTPJJDLKWWCGNN-UHFFFAOYSA-N
MW212.26 g/mol
LogP2.24
Rot. Bonds4

About 2-[4-fluoro-3-(methoxymethyl)phenyl]-2-methylpropan-1-ol

2-[4-fluoro-3-(methoxymethyl)phenyl]-2-methylpropan-1-ol (PubChem CID 117303145) has the molecular formula C12H17FO2 and a molecular weight of 212.26 g/mol. Its IUPAC name is 2-[4-fluoro-3-(methoxymethyl)phenyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[4-fluoro-3-(methoxymethyl)phenyl]-2-methylpropan-1-ol
PubChem CID117303145
Molecular FormulaC12H17FO2
Molecular Weight212.26 g/mol
Exact Mass212.12
IUPAC Name2-[4-fluoro-3-(methoxymethyl)phenyl]-2-methylpropan-1-ol
SMILESCOCc1cc(C(C)(C)CO)ccc1F
InChIInChI=1S/C12H17FO2/c1-12(2,8-14)10-4-5-11(13)9(6-10)7-15-3/h4-6,14H,7-8H2,1-3H3
InChIKeyLTPJJDLKWWCGNN-UHFFFAOYSA-N
XLogP2.24
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-3-(methoxymethyl)phenyl]-2-methylpropan-1-ol?
The IUPAC name of 2-[4-fluoro-3-(methoxymethyl)phenyl]-2-methylpropan-1-ol (CID 117303145) is 2-[4-fluoro-3-(methoxymethyl)phenyl]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[4-fluoro-3-(methoxymethyl)phenyl]-2-methylpropan-1-ol?
The canonical SMILES for 2-[4-fluoro-3-(methoxymethyl)phenyl]-2-methylpropan-1-ol is COCc1cc(C(C)(C)CO)ccc1F.
What is the InChIKey of 2-[4-fluoro-3-(methoxymethyl)phenyl]-2-methylpropan-1-ol?
The InChIKey is LTPJJDLKWWCGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO2/c1-12(2,8-14)10-4-5-11(13)9(6-10)7-15-3/h4-6,14H,7-8H2,1-3H3.
What are the key properties of 2-[4-fluoro-3-(methoxymethyl)phenyl]-2-methylpropan-1-ol?
2-[4-fluoro-3-(methoxymethyl)phenyl]-2-methylpropan-1-ol has a molecular weight of 212.26 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-3-(methoxymethyl)phenyl]-2-methylpropan-1-ol is sourced from PubChem (CID 117303145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).