3-(3-fluoro-5-prop-2-enylphenoxy)propan-1-ol

C12H15FO2 — CID 163778657

IUPAC3-(3-fluoro-5-prop-2-enylphenoxy)propan-1-ol
SMILESC=CCc1cc(F)cc(OCCCO)c1
InChIInChI=1S/C12H15FO2/c1-2-4-10-7-11(13)9-12(8-10)15-6-3-5-14/h2,7-9,14H,1,3-6H2
InChIKeyMMRZRNIIAZUWRG-UHFFFAOYSA-N
MW210.25 g/mol
LogP2.32
Rot. Bonds6

About 3-(3-fluoro-5-prop-2-enylphenoxy)propan-1-ol

3-(3-fluoro-5-prop-2-enylphenoxy)propan-1-ol (PubChem CID 163778657) has the molecular formula C12H15FO2 and a molecular weight of 210.25 g/mol. Its IUPAC name is 3-(3-fluoro-5-prop-2-enylphenoxy)propan-1-ol.

Molecular Properties

Compound Name3-(3-fluoro-5-prop-2-enylphenoxy)propan-1-ol
PubChem CID163778657
Molecular FormulaC12H15FO2
Molecular Weight210.25 g/mol
Exact Mass210.11
IUPAC Name3-(3-fluoro-5-prop-2-enylphenoxy)propan-1-ol
SMILESC=CCc1cc(F)cc(OCCCO)c1
InChIInChI=1S/C12H15FO2/c1-2-4-10-7-11(13)9-12(8-10)15-6-3-5-14/h2,7-9,14H,1,3-6H2
InChIKeyMMRZRNIIAZUWRG-UHFFFAOYSA-N
XLogP2.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;(3-fluoro-5-prop-2-enoxyphenyl)methanol
CID 144723100
N-[(3-fluoro-5-hept-6-enoxyphenyl)methyl]cyclopropanamine
CID 107006334
3-[4-(4-fluorophenyl)phenoxy]propan-1-ol
CID 54464679
2-(3-ethoxy-5-fluorophenyl)ethanol
CID 91657275
N-[(3-fluoro-5-hept-6-enoxyphenyl)methyl]-2-methylpropan-1-amine
CID 107006338
3-fluoro-5-hept-6-enoxybenzaldehyde
CID 107007342
1-(4-chlorobutoxy)-3,5-difluorobenzene
CID 62785225
2-[3-(4-fluorophenoxy)propyl-prop-2-enylamino]ethanol
CID 115631794
3-[3-(ethylaminomethyl)-5-fluorophenoxy]-N,N-dimethylpropan-1-amine
CID 114524943
1-fluoro-3-pent-4-enoxybenzene
CID 64764365
[3-fluoro-5-(2-propan-2-ylsulfonylethoxy)phenyl]methanol
CID 106726358
[3-fluoro-5-(2-propylsulfonylethoxy)phenyl]methanol
CID 106726357

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-5-prop-2-enylphenoxy)propan-1-ol?
The IUPAC name of 3-(3-fluoro-5-prop-2-enylphenoxy)propan-1-ol (CID 163778657) is 3-(3-fluoro-5-prop-2-enylphenoxy)propan-1-ol.
What is the SMILES notation for 3-(3-fluoro-5-prop-2-enylphenoxy)propan-1-ol?
The canonical SMILES for 3-(3-fluoro-5-prop-2-enylphenoxy)propan-1-ol is C=CCc1cc(F)cc(OCCCO)c1.
What is the InChIKey of 3-(3-fluoro-5-prop-2-enylphenoxy)propan-1-ol?
The InChIKey is MMRZRNIIAZUWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO2/c1-2-4-10-7-11(13)9-12(8-10)15-6-3-5-14/h2,7-9,14H,1,3-6H2.
What are the key properties of 3-(3-fluoro-5-prop-2-enylphenoxy)propan-1-ol?
3-(3-fluoro-5-prop-2-enylphenoxy)propan-1-ol has a molecular weight of 210.25 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-5-prop-2-enylphenoxy)propan-1-ol is sourced from PubChem (CID 163778657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).