3-fluoro-4-phenylbutan-1-ol

C10H13FO — CID 154714908

IUPAC3-fluoro-4-phenylbutan-1-ol
SMILESOCCC(F)Cc1ccccc1
InChIInChI=1S/C10H13FO/c11-10(6-7-12)8-9-4-2-1-3-5-9/h1-5,10,12H,6-8H2
InChIKeyJVIMYJDGWRIBJY-UHFFFAOYSA-N
MW168.21 g/mol
LogP1.95
Rot. Bonds4

About 3-fluoro-4-phenylbutan-1-ol

3-fluoro-4-phenylbutan-1-ol (PubChem CID 154714908) has the molecular formula C10H13FO and a molecular weight of 168.21 g/mol. Its IUPAC name is 3-fluoro-4-phenylbutan-1-ol.

Molecular Properties

Compound Name3-fluoro-4-phenylbutan-1-ol
PubChem CID154714908
Molecular FormulaC10H13FO
Molecular Weight168.21 g/mol
Exact Mass168.10
IUPAC Name3-fluoro-4-phenylbutan-1-ol
SMILESOCCC(F)Cc1ccccc1
InChIInChI=1S/C10H13FO/c11-10(6-7-12)8-9-4-2-1-3-5-9/h1-5,10,12H,6-8H2
InChIKeyJVIMYJDGWRIBJY-UHFFFAOYSA-N
XLogP1.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.21
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Phenylethanol
CID 6054
Benzenepropanol
CID 31234
1-Phenyl-3-methyl-3-pentanol
CID 61516
2-Methyl-4-phenyl-2-butanol
CID 7632
alpha-(2-Methylpropyl)benzeneethanol
CID 62661
2-Phenyl-1-propanol
CID 14295
4-Phenyl-2-butanol
CID 61302
5-Phenyl-1-pentanol
CID 61523
2-Pentylcinnamic alcohol
CID 5368491
1-Phenyl-2-pentanol
CID 61202
2-Pentyl-3-phenylprop-2-en-1-ol
CID 6076971
Phenylisohexanol
CID 108312

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-phenylbutan-1-ol?
The IUPAC name of 3-fluoro-4-phenylbutan-1-ol (CID 154714908) is 3-fluoro-4-phenylbutan-1-ol.
What is the SMILES notation for 3-fluoro-4-phenylbutan-1-ol?
The canonical SMILES for 3-fluoro-4-phenylbutan-1-ol is OCCC(F)Cc1ccccc1.
What is the InChIKey of 3-fluoro-4-phenylbutan-1-ol?
The InChIKey is JVIMYJDGWRIBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO/c11-10(6-7-12)8-9-4-2-1-3-5-9/h1-5,10,12H,6-8H2.
What are the key properties of 3-fluoro-4-phenylbutan-1-ol?
3-fluoro-4-phenylbutan-1-ol has a molecular weight of 168.21 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-phenylbutan-1-ol is sourced from PubChem (CID 154714908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).