4-(3-fluoro-4-phenylphenyl)butan-1-ol

C16H17FO — CID 172805530

IUPAC4-(3-fluoro-4-phenylphenyl)butan-1-ol
SMILESOCCCCc1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C16H17FO/c17-16-12-13(6-4-5-11-18)9-10-15(16)14-7-2-1-3-8-14/h1-3,7-10,12,18H,4-6,11H2
InChIKeyRLLXFWXNHLYXQX-UHFFFAOYSA-N
MW244.31 g/mol
LogP3.81
Rot. Bonds5

About 4-(3-fluoro-4-phenylphenyl)butan-1-ol

4-(3-fluoro-4-phenylphenyl)butan-1-ol (PubChem CID 172805530) has the molecular formula C16H17FO and a molecular weight of 244.31 g/mol. Its IUPAC name is 4-(3-fluoro-4-phenylphenyl)butan-1-ol.

Molecular Properties

Compound Name4-(3-fluoro-4-phenylphenyl)butan-1-ol
PubChem CID172805530
Molecular FormulaC16H17FO
Molecular Weight244.31 g/mol
Exact Mass244.13
IUPAC Name4-(3-fluoro-4-phenylphenyl)butan-1-ol
SMILESOCCCCc1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C16H17FO/c17-16-12-13(6-4-5-11-18)9-10-15(16)14-7-2-1-3-8-14/h1-3,7-10,12,18H,4-6,11H2
InChIKeyRLLXFWXNHLYXQX-UHFFFAOYSA-N
XLogP3.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 53.81
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

2-fluoro-4-(4-fluorobutyl)-1-phenylbenzene
CID 20663568
4-(4-phenylphenyl)butan-1-ol
CID 11970468
5-(3-phenylphenyl)pentan-1-ol
CID 57054310
(5-pentyl-2-phenylphenyl)boronic acid
CID 68778715
4-butyl-2-fluoro-1-[4-[2-(4-pentylphenyl)ethyl]phenyl]benzene
CID 19906913
2-fluoro-1-(4-heptylphenyl)-4-[2-(4-pentylphenyl)ethyl]benzene
CID 19906944
3-(4-methyl-3-phenylphenyl)propan-1-ol
CID 117325760
4-[9-(4-hydroxy-3-phenylphenyl)nonyl]-2-phenylphenol
CID 70422254
4-[6-(4-hydroxy-3-phenylphenyl)hexyl]-2-phenylphenol
CID 139679162
2-[4-(2-fluoro-4-propylphenyl)phenyl]ethanol
CID 134432733
4-hydroxybutyl 3-fluoro-4-phenylbenzoate
CID 91376358
6-(3,4,5-trifluorophenyl)hexan-1-ol
CID 174855228

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-phenylphenyl)butan-1-ol?
The IUPAC name of 4-(3-fluoro-4-phenylphenyl)butan-1-ol (CID 172805530) is 4-(3-fluoro-4-phenylphenyl)butan-1-ol.
What is the SMILES notation for 4-(3-fluoro-4-phenylphenyl)butan-1-ol?
The canonical SMILES for 4-(3-fluoro-4-phenylphenyl)butan-1-ol is OCCCCc1ccc(-c2ccccc2)c(F)c1.
What is the InChIKey of 4-(3-fluoro-4-phenylphenyl)butan-1-ol?
The InChIKey is RLLXFWXNHLYXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FO/c17-16-12-13(6-4-5-11-18)9-10-15(16)14-7-2-1-3-8-14/h1-3,7-10,12,18H,4-6,11H2.
What are the key properties of 4-(3-fluoro-4-phenylphenyl)butan-1-ol?
4-(3-fluoro-4-phenylphenyl)butan-1-ol has a molecular weight of 244.31 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-phenylphenyl)butan-1-ol is sourced from PubChem (CID 172805530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).