2-[(4-fluorophenyl)methyl]-5-methoxypentan-1-ol

C13H19FO2 — CID 66060322

IUPAC2-[(4-fluorophenyl)methyl]-5-methoxypentan-1-ol
SMILESCOCCCC(CO)Cc1ccc(F)cc1
InChIInChI=1S/C13H19FO2/c1-16-8-2-3-12(10-15)9-11-4-6-13(14)7-5-11/h4-7,12,15H,2-3,8-10H2,1H3
InChIKeyWRUBZDJZBMZUPC-UHFFFAOYSA-N
MW226.29 g/mol
LogP2.40
Rot. Bonds7

About 2-[(4-fluorophenyl)methyl]-5-methoxypentan-1-ol

2-[(4-fluorophenyl)methyl]-5-methoxypentan-1-ol (PubChem CID 66060322) has the molecular formula C13H19FO2 and a molecular weight of 226.29 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-5-methoxypentan-1-ol.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-5-methoxypentan-1-ol
PubChem CID66060322
Molecular FormulaC13H19FO2
Molecular Weight226.29 g/mol
Exact Mass226.14
IUPAC Name2-[(4-fluorophenyl)methyl]-5-methoxypentan-1-ol
SMILESCOCCCC(CO)Cc1ccc(F)cc1
InChIInChI=1S/C13H19FO2/c1-16-8-2-3-12(10-15)9-11-4-6-13(14)7-5-11/h4-7,12,15H,2-3,8-10H2,1H3
InChIKeyWRUBZDJZBMZUPC-UHFFFAOYSA-N
XLogP2.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(bromomethyl)-5-methoxypentyl]-4-fluorobenzene
CID 66042083
(2S)-2-[(4-fluorophenyl)methyl]hexane-1,6-diol
CID 172914267
2-[(4-bromophenyl)methyl]-4-(3-methoxypropoxy)butan-1-ol
CID 103184943
2-[(4-fluorophenyl)methyl]-6-methoxy-N-propylhexan-1-amine
CID 104649200
N-ethyl-2-[(4-fluorophenyl)methyl]-4-methoxybutan-1-amine
CID 62516080
2-[(4-fluorophenyl)methyl]-4-(3-methoxypropoxy)butanoic acid
CID 103181428
1-[2-(chloromethyl)-5-methoxypentyl]-4-methoxybenzene
CID 66034598
(2R)-1-(4-fluorophenyl)-N-(3-methoxypropyl)propan-2-amine
CID 7047069
2-[(4-fluorophenyl)methyl]-4-methylheptan-1-ol
CID 66057578
2-[(4-methoxyphenyl)methyl]heptan-1-ol
CID 66060559
2-ethyl-5-methoxypentan-1-ol
CID 66059836
2-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine
CID 62720076

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-5-methoxypentan-1-ol?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-5-methoxypentan-1-ol (CID 66060322) is 2-[(4-fluorophenyl)methyl]-5-methoxypentan-1-ol.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-5-methoxypentan-1-ol?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-5-methoxypentan-1-ol is COCCCC(CO)Cc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-5-methoxypentan-1-ol?
The InChIKey is WRUBZDJZBMZUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FO2/c1-16-8-2-3-12(10-15)9-11-4-6-13(14)7-5-11/h4-7,12,15H,2-3,8-10H2,1H3.
What are the key properties of 2-[(4-fluorophenyl)methyl]-5-methoxypentan-1-ol?
2-[(4-fluorophenyl)methyl]-5-methoxypentan-1-ol has a molecular weight of 226.29 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-5-methoxypentan-1-ol is sourced from PubChem (CID 66060322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).