3-(3-fluoro-4-methylphenoxy)propan-1-ol

C10H13FO2 — CID 107170036

IUPAC3-(3-fluoro-4-methylphenoxy)propan-1-ol
SMILESCc1ccc(OCCCO)cc1F
InChIInChI=1S/C10H13FO2/c1-8-3-4-9(7-10(8)11)13-6-2-5-12/h3-4,7,12H,2,5-6H2,1H3
InChIKeyMXZVJPOLYYDCKR-UHFFFAOYSA-N
MW184.21 g/mol
LogP1.90
Rot. Bonds4

About 3-(3-fluoro-4-methylphenoxy)propan-1-ol

3-(3-fluoro-4-methylphenoxy)propan-1-ol (PubChem CID 107170036) has the molecular formula C10H13FO2 and a molecular weight of 184.21 g/mol. Its IUPAC name is 3-(3-fluoro-4-methylphenoxy)propan-1-ol.

Molecular Properties

Compound Name3-(3-fluoro-4-methylphenoxy)propan-1-ol
PubChem CID107170036
Molecular FormulaC10H13FO2
Molecular Weight184.21 g/mol
Exact Mass184.09
IUPAC Name3-(3-fluoro-4-methylphenoxy)propan-1-ol
SMILESCc1ccc(OCCCO)cc1F
InChIInChI=1S/C10H13FO2/c1-8-3-4-9(7-10(8)11)13-6-2-5-12/h3-4,7,12H,2,5-6H2,1H3
InChIKeyMXZVJPOLYYDCKR-UHFFFAOYSA-N
XLogP1.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-(3-fluoro-4-methylphenoxy)nonane-1-thiol
CID 107171679
2-fluoro-4-(4-methoxybutoxy)-1-methylbenzene
CID 107171353
6-(3-fluoro-4-methylphenoxy)hexan-3-one
CID 107169821
2-fluoro-4-hexoxy-1-methylbenzene
CID 58718900
2-fluoro-4-(2-methoxyethoxy)-1-methylbenzene
CID 21363868
2-fluoro-1-methyl-4-(4-methylpentoxy)benzene
CID 107171422
3-(3-fluoro-4-methylphenoxy)propanoic acid
CID 107168344
2-fluoro-4-(fluoromethoxy)-1-methylbenzene;fluoromethane
CID 91055854
2-fluoro-4-(3-hydroxypropoxy)benzonitrile
CID 78961235
[4-[3-(3-fluoro-4-methylphenoxy)propoxy]phenyl]methanamine
CID 107168782
2-fluoro-4-(methoxymethoxy)-1-methylbenzene
CID 54289403
2-fluoro-1-methyl-4-(4-phenylbutoxy)benzene
CID 107171456

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methylphenoxy)propan-1-ol?
The IUPAC name of 3-(3-fluoro-4-methylphenoxy)propan-1-ol (CID 107170036) is 3-(3-fluoro-4-methylphenoxy)propan-1-ol.
What is the SMILES notation for 3-(3-fluoro-4-methylphenoxy)propan-1-ol?
The canonical SMILES for 3-(3-fluoro-4-methylphenoxy)propan-1-ol is Cc1ccc(OCCCO)cc1F.
What is the InChIKey of 3-(3-fluoro-4-methylphenoxy)propan-1-ol?
The InChIKey is MXZVJPOLYYDCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO2/c1-8-3-4-9(7-10(8)11)13-6-2-5-12/h3-4,7,12H,2,5-6H2,1H3.
What are the key properties of 3-(3-fluoro-4-methylphenoxy)propan-1-ol?
3-(3-fluoro-4-methylphenoxy)propan-1-ol has a molecular weight of 184.21 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methylphenoxy)propan-1-ol is sourced from PubChem (CID 107170036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).