[3-fluoro-4-(2-methylidenebutoxy)phenyl]methanol

C12H15FO2 — CID 107690695

IUPAC[3-fluoro-4-(2-methylidenebutoxy)phenyl]methanol
SMILESC=C(CC)COc1ccc(CO)cc1F
InChIInChI=1S/C12H15FO2/c1-3-9(2)8-15-12-5-4-10(7-14)6-11(12)13/h4-6,14H,2-3,7-8H2,1H3
InChIKeyTZOZKGCBHNHSHQ-UHFFFAOYSA-N
MW210.25 g/mol
LogP2.66
Rot. Bonds5

About [3-fluoro-4-(2-methylidenebutoxy)phenyl]methanol

[3-fluoro-4-(2-methylidenebutoxy)phenyl]methanol (PubChem CID 107690695) has the molecular formula C12H15FO2 and a molecular weight of 210.25 g/mol. Its IUPAC name is [3-fluoro-4-(2-methylidenebutoxy)phenyl]methanol.

Molecular Properties

Compound Name[3-fluoro-4-(2-methylidenebutoxy)phenyl]methanol
PubChem CID107690695
Molecular FormulaC12H15FO2
Molecular Weight210.25 g/mol
Exact Mass210.11
IUPAC Name[3-fluoro-4-(2-methylidenebutoxy)phenyl]methanol
SMILESC=C(CC)COc1ccc(CO)cc1F
InChIInChI=1S/C12H15FO2/c1-3-9(2)8-15-12-5-4-10(7-14)6-11(12)13/h4-6,14H,2-3,7-8H2,1H3
InChIKeyTZOZKGCBHNHSHQ-UHFFFAOYSA-N
XLogP2.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 52.66
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

[4-(ethoxymethoxy)-3-fluorophenyl]methanol
CID 107690890
[4-[2-(dimethylamino)ethoxy]-3-fluorophenyl]methanol
CID 107690943
4-bromo-1-fluoro-2-(2-methylidenebutoxy)benzene
CID 114672615
[4-(3-ethylsulfonylpropoxy)-3-fluorophenyl]methanol
CID 107690484
potassium trifluoro-[5-fluoro-2-(2-methylidenebutoxy)phenyl]boranuide
CID 66044783
2-[3-fluoro-4-(2-methylprop-2-enoxy)phenyl]ethanamine
CID 107692680
2-[3-methoxy-4-(2-methylidenebutoxy)phenyl]ethanamine
CID 66037111
(3-fluoro-4-propan-2-yloxyphenyl)methanol
CID 28945931
[4-fluoro-3-(2-methylidenebutoxy)phenyl]boronic acid
CID 114674680
N-ethyl-3-[2-fluoro-4-(hydroxymethyl)phenoxy]propanamide
CID 107690752
[4-(2-cyclohexylethoxy)-3-fluorophenyl]methanol
CID 114191393
[3-fluoro-4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]methanol
CID 107690953

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-(2-methylidenebutoxy)phenyl]methanol?
The IUPAC name of [3-fluoro-4-(2-methylidenebutoxy)phenyl]methanol (CID 107690695) is [3-fluoro-4-(2-methylidenebutoxy)phenyl]methanol.
What is the SMILES notation for [3-fluoro-4-(2-methylidenebutoxy)phenyl]methanol?
The canonical SMILES for [3-fluoro-4-(2-methylidenebutoxy)phenyl]methanol is C=C(CC)COc1ccc(CO)cc1F.
What is the InChIKey of [3-fluoro-4-(2-methylidenebutoxy)phenyl]methanol?
The InChIKey is TZOZKGCBHNHSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO2/c1-3-9(2)8-15-12-5-4-10(7-14)6-11(12)13/h4-6,14H,2-3,7-8H2,1H3.
What are the key properties of [3-fluoro-4-(2-methylidenebutoxy)phenyl]methanol?
[3-fluoro-4-(2-methylidenebutoxy)phenyl]methanol has a molecular weight of 210.25 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-(2-methylidenebutoxy)phenyl]methanol is sourced from PubChem (CID 107690695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).