1-(4-fluoronaphthalen-1-yl)pent-4-en-1-ol

C15H15FO — CID 114088341

IUPAC1-(4-fluoronaphthalen-1-yl)pent-4-en-1-ol
SMILESC=CCCC(O)c1ccc(F)c2ccccc12
InChIInChI=1S/C15H15FO/c1-2-3-8-15(17)13-9-10-14(16)12-7-5-4-6-11(12)13/h2,4-7,9-10,15,17H,1,3,8H2
InChIKeyHSUWFVJTQGCYAD-UHFFFAOYSA-N
MW230.28 g/mol
LogP3.98
Rot. Bonds4

About 1-(4-fluoronaphthalen-1-yl)pent-4-en-1-ol

1-(4-fluoronaphthalen-1-yl)pent-4-en-1-ol (PubChem CID 114088341) has the molecular formula C15H15FO and a molecular weight of 230.28 g/mol. Its IUPAC name is 1-(4-fluoronaphthalen-1-yl)pent-4-en-1-ol.

Molecular Properties

Compound Name1-(4-fluoronaphthalen-1-yl)pent-4-en-1-ol
PubChem CID114088341
Molecular FormulaC15H15FO
Molecular Weight230.28 g/mol
Exact Mass230.11
IUPAC Name1-(4-fluoronaphthalen-1-yl)pent-4-en-1-ol
SMILESC=CCCC(O)c1ccc(F)c2ccccc12
InChIInChI=1S/C15H15FO/c1-2-3-8-15(17)13-9-10-14(16)12-7-5-4-6-11(12)13/h2,4-7,9-10,15,17H,1,3,8H2
InChIKeyHSUWFVJTQGCYAD-UHFFFAOYSA-N
XLogP3.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.28
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluoronaphthalen-1-yl)butane-1,2,4-triol
CID 171873026
4-bromo-1-(4-fluoronaphthalen-1-yl)butane-1,2-diol
CID 171892735
1-(4-fluoronaphthalen-1-yl)-2-(oxolan-2-yl)ethanol
CID 65157648
2,2-dichloro-1-(4-fluoronaphthalen-1-yl)ethanol
CID 164892255
1-(2-bromo-5-fluorophenyl)pent-4-en-1-ol
CID 115804823
4-[(1R)-1-aminopent-4-enyl]naphthalen-1-ol;hydrochloride
CID 171208914
1-(1-benzothiophen-3-yl)hex-5-en-1-ol
CID 115804490
1-[3-(1-hydroxypent-4-enyl)phenyl]pent-4-en-1-ol
CID 59703119
1-(2-chloro-3-methylphenyl)pent-4-en-1-ol
CID 115804889
1-(7-fluoro-2-phenylquinolin-3-yl)pent-4-en-1-ol
CID 122441896
1-(1-benzothiophen-3-yl)oct-7-en-1-ol
CID 107012182
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CID 107008668

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoronaphthalen-1-yl)pent-4-en-1-ol?
The IUPAC name of 1-(4-fluoronaphthalen-1-yl)pent-4-en-1-ol (CID 114088341) is 1-(4-fluoronaphthalen-1-yl)pent-4-en-1-ol.
What is the SMILES notation for 1-(4-fluoronaphthalen-1-yl)pent-4-en-1-ol?
The canonical SMILES for 1-(4-fluoronaphthalen-1-yl)pent-4-en-1-ol is C=CCCC(O)c1ccc(F)c2ccccc12.
What is the InChIKey of 1-(4-fluoronaphthalen-1-yl)pent-4-en-1-ol?
The InChIKey is HSUWFVJTQGCYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FO/c1-2-3-8-15(17)13-9-10-14(16)12-7-5-4-6-11(12)13/h2,4-7,9-10,15,17H,1,3,8H2.
What are the key properties of 1-(4-fluoronaphthalen-1-yl)pent-4-en-1-ol?
1-(4-fluoronaphthalen-1-yl)pent-4-en-1-ol has a molecular weight of 230.28 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoronaphthalen-1-yl)pent-4-en-1-ol is sourced from PubChem (CID 114088341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).