3-[2-(2-fluoropropyl)phenyl]propan-1-ol

C12H17FO — CID 117286431

IUPAC3-[2-(2-fluoropropyl)phenyl]propan-1-ol
SMILESCC(F)Cc1ccccc1CCCO
InChIInChI=1S/C12H17FO/c1-10(13)9-12-6-3-2-5-11(12)7-4-8-14/h2-3,5-6,10,14H,4,7-9H2,1H3
InChIKeyMPJWSQRYAILMIP-UHFFFAOYSA-N
MW196.26 g/mol
LogP2.51
Rot. Bonds5

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

3-[2-(2-fluoropropyl)phenyl]propan-1-ol (PubChem CID 117286431) has the molecular formula C12H17FO and a molecular weight of 196.26 g/mol. Its IUPAC name is 3-[2-(2-fluoropropyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-[2-(2-fluoropropyl)phenyl]propan-1-ol
PubChem CID117286431
Molecular FormulaC12H17FO
Molecular Weight196.26 g/mol
Exact Mass196.13
IUPAC Name3-[2-(2-fluoropropyl)phenyl]propan-1-ol
SMILESCC(F)Cc1ccccc1CCCO
InChIInChI=1S/C12H17FO/c1-10(13)9-12-6-3-2-5-11(12)7-4-8-14/h2-3,5-6,10,14H,4,7-9H2,1H3
InChIKeyMPJWSQRYAILMIP-UHFFFAOYSA-N
XLogP2.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.26
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[2-(2,2-difluoroethyl)phenyl]propan-1-ol
CID 117289348
4-(2-propan-2-ylphenyl)butan-1-ol
CID 54569508
3-naphthalen-1-ylpropan-1-ol
CID 14711518
1-[2-(3-hydroxypropyl)phenyl]ethane-1,2-diol
CID 117286234
1-(2-butylphenyl)propan-2-amine
CID 21117027
4-[2-(2-aminopropyl)phenyl]butan-1-amine
CID 66940380
1-[2-(2-hydroxyethyl)phenyl]-3,3-dimethylbutan-2-ol
CID 102015926
3-(2,3-difluorophenyl)propan-1-ol
CID 53434260
bis[2-(3-hydroxypropyl)phenyl]methanone
CID 54073117
N-[2-(4-hydroxybutyl)phenyl]acetamide
CID 105460610
3-(2-fluoro-5-propan-2-ylphenyl)propan-1-ol
CID 117286425
3-[2-(2-methoxypropyl)phenyl]propan-1-amine
CID 115113273

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-fluoropropyl)phenyl]propan-1-ol?
The IUPAC name of 3-[2-(2-fluoropropyl)phenyl]propan-1-ol (CID 117286431) is 3-[2-(2-fluoropropyl)phenyl]propan-1-ol.
What is the SMILES notation for 3-[2-(2-fluoropropyl)phenyl]propan-1-ol?
The canonical SMILES for 3-[2-(2-fluoropropyl)phenyl]propan-1-ol is CC(F)Cc1ccccc1CCCO.
What is the InChIKey of 3-[2-(2-fluoropropyl)phenyl]propan-1-ol?
The InChIKey is MPJWSQRYAILMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO/c1-10(13)9-12-6-3-2-5-11(12)7-4-8-14/h2-3,5-6,10,14H,4,7-9H2,1H3.
What are the key properties of 3-[2-(2-fluoropropyl)phenyl]propan-1-ol?
3-[2-(2-fluoropropyl)phenyl]propan-1-ol has a molecular weight of 196.26 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-fluoropropyl)phenyl]propan-1-ol is sourced from PubChem (CID 117286431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).