4-(4-fluoro-2-methylphenyl)butan-1-ol

C11H15FO — CID 54363918

IUPAC4-(4-fluoro-2-methylphenyl)butan-1-ol
SMILESCc1cc(F)ccc1CCCCO
InChIInChI=1S/C11H15FO/c1-9-8-11(12)6-5-10(9)4-2-3-7-13/h5-6,8,13H,2-4,7H2,1H3
InChIKeyHTNNZYMFDZEUBJ-UHFFFAOYSA-N
MW182.24 g/mol
LogP2.45
Rot. Bonds4

About 4-(4-fluoro-2-methylphenyl)butan-1-ol

4-(4-fluoro-2-methylphenyl)butan-1-ol (PubChem CID 54363918) has the molecular formula C11H15FO and a molecular weight of 182.24 g/mol. Its IUPAC name is 4-(4-fluoro-2-methylphenyl)butan-1-ol.

Molecular Properties

Compound Name4-(4-fluoro-2-methylphenyl)butan-1-ol
PubChem CID54363918
Molecular FormulaC11H15FO
Molecular Weight182.24 g/mol
Exact Mass182.11
IUPAC Name4-(4-fluoro-2-methylphenyl)butan-1-ol
SMILESCc1cc(F)ccc1CCCCO
InChIInChI=1S/C11H15FO/c1-9-8-11(12)6-5-10(9)4-2-3-7-13/h5-6,8,13H,2-4,7H2,1H3
InChIKeyHTNNZYMFDZEUBJ-UHFFFAOYSA-N
XLogP2.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 57094925
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CID 114349377
4-(3-hydroxypropyl)-3-methylphenol
CID 117276402
3-[4-(1,1-difluoroethyl)-2-methylphenyl]propan-1-ol
CID 162574703
2-(4-fluoro-2-methylphenyl)acetic acid
CID 5016950
2-(4-fluoro-2-methylphenyl)ethylhydrazine
CID 105220815
4-fluoro-2-methyl-1-(2-phenylethyl)benzene
CID 90778447
N-[4-fluoro-2-(4-hydroxybutyl)phenyl]acetamide
CID 105482989
ethane;1-ethyl-4-fluoro-2-methylbenzene
CID 143471886
1-(4-fluoro-2-methylphenyl)propan-2-ol
CID 91636360
2-amino-3-(4-fluoro-2-methylphenyl)propan-1-ol
CID 115649532

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-2-methylphenyl)butan-1-ol?
The IUPAC name of 4-(4-fluoro-2-methylphenyl)butan-1-ol (CID 54363918) is 4-(4-fluoro-2-methylphenyl)butan-1-ol.
What is the SMILES notation for 4-(4-fluoro-2-methylphenyl)butan-1-ol?
The canonical SMILES for 4-(4-fluoro-2-methylphenyl)butan-1-ol is Cc1cc(F)ccc1CCCCO.
What is the InChIKey of 4-(4-fluoro-2-methylphenyl)butan-1-ol?
The InChIKey is HTNNZYMFDZEUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO/c1-9-8-11(12)6-5-10(9)4-2-3-7-13/h5-6,8,13H,2-4,7H2,1H3.
What are the key properties of 4-(4-fluoro-2-methylphenyl)butan-1-ol?
4-(4-fluoro-2-methylphenyl)butan-1-ol has a molecular weight of 182.24 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-2-methylphenyl)butan-1-ol is sourced from PubChem (CID 54363918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).