1-[4-(3-fluoropropoxy)phenyl]propan-2-ol

C12H17FO2 — CID 115495812

IUPAC1-[4-(3-fluoropropoxy)phenyl]propan-2-ol
SMILESCC(O)Cc1ccc(OCCCF)cc1
InChIInChI=1S/C12H17FO2/c1-10(14)9-11-3-5-12(6-4-11)15-8-2-7-13/h3-6,10,14H,2,7-9H2,1H3
InChIKeySEIOLMOISKLSCR-UHFFFAOYSA-N
MW212.26 g/mol
LogP2.35
Rot. Bonds6

About 1-[4-(3-fluoropropoxy)phenyl]propan-2-ol

1-[4-(3-fluoropropoxy)phenyl]propan-2-ol (PubChem CID 115495812) has the molecular formula C12H17FO2 and a molecular weight of 212.26 g/mol. Its IUPAC name is 1-[4-(3-fluoropropoxy)phenyl]propan-2-ol.

Molecular Properties

Compound Name1-[4-(3-fluoropropoxy)phenyl]propan-2-ol
PubChem CID115495812
Molecular FormulaC12H17FO2
Molecular Weight212.26 g/mol
Exact Mass212.12
IUPAC Name1-[4-(3-fluoropropoxy)phenyl]propan-2-ol
SMILESCC(O)Cc1ccc(OCCCF)cc1
InChIInChI=1S/C12H17FO2/c1-10(14)9-11-3-5-12(6-4-11)15-8-2-7-13/h3-6,10,14H,2,7-9H2,1H3
InChIKeySEIOLMOISKLSCR-UHFFFAOYSA-N
XLogP2.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 52.35
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

1-[4-(4-methoxybutoxy)phenyl]propan-2-ol
CID 104648035
4-[4-(2-hydroxypropyl)phenoxy]butan-1-ol
CID 115495833
5-[4-(2-hydroxypropyl)phenoxy]pentanenitrile
CID 113323096
(1S)-1-[4-(3-fluoropropoxy)phenyl]ethanol
CID 81113862
1-[4-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]propan-2-ol
CID 115495880
methyl 3-[4-(2-hydroxypropyl)phenoxy]propanoate
CID 113323144
5-[4-(2-hydroxypropyl)phenoxy]-2,2-dimethylpentanenitrile
CID 115495729
1-[4-(pyridin-4-ylmethoxy)phenyl]propan-2-ol
CID 113323114
1-[4-(2-isothiocyanatoethoxy)phenyl]propan-2-ol
CID 56629229
(2S)-2-amino-3-[4-(3-fluoropropoxy)phenyl]propanoic acid;hydrochloride
CID 118157791
(2S)-2-amino-3-[4-(3-fluoropropoxy)phenyl]propanal
CID 118182183
(1R)-1-[4-(3-fluoropropoxy)phenyl]ethanamine
CID 78960972

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-fluoropropoxy)phenyl]propan-2-ol?
The IUPAC name of 1-[4-(3-fluoropropoxy)phenyl]propan-2-ol (CID 115495812) is 1-[4-(3-fluoropropoxy)phenyl]propan-2-ol.
What is the SMILES notation for 1-[4-(3-fluoropropoxy)phenyl]propan-2-ol?
The canonical SMILES for 1-[4-(3-fluoropropoxy)phenyl]propan-2-ol is CC(O)Cc1ccc(OCCCF)cc1.
What is the InChIKey of 1-[4-(3-fluoropropoxy)phenyl]propan-2-ol?
The InChIKey is SEIOLMOISKLSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO2/c1-10(14)9-11-3-5-12(6-4-11)15-8-2-7-13/h3-6,10,14H,2,7-9H2,1H3.
What are the key properties of 1-[4-(3-fluoropropoxy)phenyl]propan-2-ol?
1-[4-(3-fluoropropoxy)phenyl]propan-2-ol has a molecular weight of 212.26 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-fluoropropoxy)phenyl]propan-2-ol is sourced from PubChem (CID 115495812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).