2-fluoro-5-[2-(5-phenylpentoxy)phenyl]furan

C21H21FO2 — CID 141337966

IUPAC2-fluoro-5-[2-(5-phenylpentoxy)phenyl]furan
SMILESFc1ccc(-c2ccccc2OCCCCCc2ccccc2)o1
InChIInChI=1S/C21H21FO2/c22-21-15-14-20(24-21)18-12-6-7-13-19(18)23-16-8-2-5-11-17-9-3-1-4-10-17/h1,3-4,6-7,9-10,12-15H,2,5,8,11,16H2
InChIKeyWTYHIZLGLCMJFM-UHFFFAOYSA-N
MW324.40 g/mol
LogP5.88
Rot. Bonds8

About 2-fluoro-5-[2-(5-phenylpentoxy)phenyl]furan

2-fluoro-5-[2-(5-phenylpentoxy)phenyl]furan (PubChem CID 141337966) has the molecular formula C21H21FO2 and a molecular weight of 324.40 g/mol. Its IUPAC name is 2-fluoro-5-[2-(5-phenylpentoxy)phenyl]furan.

Molecular Properties

Compound Name2-fluoro-5-[2-(5-phenylpentoxy)phenyl]furan
PubChem CID141337966
Molecular FormulaC21H21FO2
Molecular Weight324.40 g/mol
Exact Mass324.15
IUPAC Name2-fluoro-5-[2-(5-phenylpentoxy)phenyl]furan
SMILESFc1ccc(-c2ccccc2OCCCCCc2ccccc2)o1
InChIInChI=1S/C21H21FO2/c22-21-15-14-20(24-21)18-12-6-7-13-19(18)23-16-8-2-5-11-17-9-3-1-4-10-17/h1,3-4,6-7,9-10,12-15H,2,5,8,11,16H2
InChIKeyWTYHIZLGLCMJFM-UHFFFAOYSA-N
XLogP5.88
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.40
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-fluoro-5-[2-(5-phenylpentoxy)phenyl]furan with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-fluoro-2-(4-phenylbutoxy)benzene
CID 91171700
2-[2-(3-phenylpropoxy)phenyl]furan
CID 168524939
2,6-bis(5-phenylpentoxy)phenol
CID 57224356
8-(8-phenyloctoxy)octylbenzene
CID 56628536
2-(2-hexoxyphenyl)-5-octylpyrimidine
CID 19840010
3-fluoro-4-(4-phenylbutoxy)benzaldehyde
CID 107689474
N-[2-(4-phenylbutoxy)phenyl]formamide
CID 150186708
7-methoxyheptylbenzene
CID 54276867
1,4-bis(6-phenoxyhexyl)benzene
CID 86175301
4-phenylbutylbenzene
CID 141301927
1-[5-fluoro-2-(4-phenylbutoxy)phenyl]-N-methylmethanamine
CID 107695266
12-(trifluoromethoxy)dodecylbenzene
CID 59366570

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[2-(5-phenylpentoxy)phenyl]furan?
The IUPAC name of 2-fluoro-5-[2-(5-phenylpentoxy)phenyl]furan (CID 141337966) is 2-fluoro-5-[2-(5-phenylpentoxy)phenyl]furan.
What is the SMILES notation for 2-fluoro-5-[2-(5-phenylpentoxy)phenyl]furan?
The canonical SMILES for 2-fluoro-5-[2-(5-phenylpentoxy)phenyl]furan is Fc1ccc(-c2ccccc2OCCCCCc2ccccc2)o1.
What is the InChIKey of 2-fluoro-5-[2-(5-phenylpentoxy)phenyl]furan?
The InChIKey is WTYHIZLGLCMJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FO2/c22-21-15-14-20(24-21)18-12-6-7-13-19(18)23-16-8-2-5-11-17-9-3-1-4-10-17/h1,3-4,6-7,9-10,12-15H,2,5,8,11,16H2.
What are the key properties of 2-fluoro-5-[2-(5-phenylpentoxy)phenyl]furan?
2-fluoro-5-[2-(5-phenylpentoxy)phenyl]furan has a molecular weight of 324.40 g/mol, XLogP of 5.88, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[2-(5-phenylpentoxy)phenyl]furan is sourced from PubChem (CID 141337966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).