[3-fluoro-2-(2-methylprop-2-enoxy)phenyl]methanol

C11H13FO2 — CID 112613056

IUPAC[3-fluoro-2-(2-methylprop-2-enoxy)phenyl]methanol
SMILESC=C(C)COc1c(F)cccc1CO
InChIInChI=1S/C11H13FO2/c1-8(2)7-14-11-9(6-13)4-3-5-10(11)12/h3-5,13H,1,6-7H2,2H3
InChIKeyBDQLFEQDKNNKIC-UHFFFAOYSA-N
MW196.22 g/mol
LogP2.27
Rot. Bonds4

About [3-fluoro-2-(2-methylprop-2-enoxy)phenyl]methanol

[3-fluoro-2-(2-methylprop-2-enoxy)phenyl]methanol (PubChem CID 112613056) has the molecular formula C11H13FO2 and a molecular weight of 196.22 g/mol. Its IUPAC name is [3-fluoro-2-(2-methylprop-2-enoxy)phenyl]methanol.

Molecular Properties

Compound Name[3-fluoro-2-(2-methylprop-2-enoxy)phenyl]methanol
PubChem CID112613056
Molecular FormulaC11H13FO2
Molecular Weight196.22 g/mol
Exact Mass196.09
IUPAC Name[3-fluoro-2-(2-methylprop-2-enoxy)phenyl]methanol
SMILESC=C(C)COc1c(F)cccc1CO
InChIInChI=1S/C11H13FO2/c1-8(2)7-14-11-9(6-13)4-3-5-10(11)12/h3-5,13H,1,6-7H2,2H3
InChIKeyBDQLFEQDKNNKIC-UHFFFAOYSA-N
XLogP2.27
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[2-fluoro-6-(hydroxymethyl)phenoxy]-N-methylacetamide
CID 112613129
3-[2-fluoro-6-(hydroxymethyl)phenoxy]propan-1-ol
CID 112612921
(3-fluoro-2-heptoxyphenyl)methanol
CID 112612964
[3-fluoro-2-(4-methylpentoxy)phenyl]methanol
CID 112613210
[3-fluoro-2-(2-methylidenebutoxy)phenyl]methanamine
CID 112608162
4-[[2-fluoro-6-(hydroxymethyl)phenoxy]methyl]phenol
CID 112613126
1-[2-fluoro-6-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol
CID 114494492
[2-(2-bromoprop-2-enoxy)-3-fluorophenyl]methanamine
CID 112608217
[2-[(2-chlorophenyl)methoxy]-3-fluorophenyl]methanol
CID 112613091
N-[[3-fluoro-2-(2-methylidenebutoxy)phenyl]methyl]propan-2-amine
CID 112610694
[3-fluoro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methanol
CID 103180585
4-[2-fluoro-6-(hydroxymethyl)phenoxy]-N,N-dimethylbutanamide
CID 112613189

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-2-(2-methylprop-2-enoxy)phenyl]methanol?
The IUPAC name of [3-fluoro-2-(2-methylprop-2-enoxy)phenyl]methanol (CID 112613056) is [3-fluoro-2-(2-methylprop-2-enoxy)phenyl]methanol.
What is the SMILES notation for [3-fluoro-2-(2-methylprop-2-enoxy)phenyl]methanol?
The canonical SMILES for [3-fluoro-2-(2-methylprop-2-enoxy)phenyl]methanol is C=C(C)COc1c(F)cccc1CO.
What is the InChIKey of [3-fluoro-2-(2-methylprop-2-enoxy)phenyl]methanol?
The InChIKey is BDQLFEQDKNNKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO2/c1-8(2)7-14-11-9(6-13)4-3-5-10(11)12/h3-5,13H,1,6-7H2,2H3.
What are the key properties of [3-fluoro-2-(2-methylprop-2-enoxy)phenyl]methanol?
[3-fluoro-2-(2-methylprop-2-enoxy)phenyl]methanol has a molecular weight of 196.22 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-2-(2-methylprop-2-enoxy)phenyl]methanol is sourced from PubChem (CID 112613056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).