1-(2-fluorophenyl)-5-methoxypentan-2-ol

C12H17FO2 — CID 62606164

IUPAC1-(2-fluorophenyl)-5-methoxypentan-2-ol
SMILESCOCCCC(O)Cc1ccccc1F
InChIInChI=1S/C12H17FO2/c1-15-8-4-6-11(14)9-10-5-2-3-7-12(10)13/h2-3,5,7,11,14H,4,6,8-9H2,1H3
InChIKeyXSNYJQSEYJBSNT-UHFFFAOYSA-N
MW212.26 g/mol
LogP2.16
Rot. Bonds6

About 1-(2-fluorophenyl)-5-methoxypentan-2-ol

1-(2-fluorophenyl)-5-methoxypentan-2-ol (PubChem CID 62606164) has the molecular formula C12H17FO2 and a molecular weight of 212.26 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-5-methoxypentan-2-ol.

Molecular Properties

Compound Name1-(2-fluorophenyl)-5-methoxypentan-2-ol
PubChem CID62606164
Molecular FormulaC12H17FO2
Molecular Weight212.26 g/mol
Exact Mass212.12
IUPAC Name1-(2-fluorophenyl)-5-methoxypentan-2-ol
SMILESCOCCCC(O)Cc1ccccc1F
InChIInChI=1S/C12H17FO2/c1-15-8-4-6-11(14)9-10-5-2-3-7-12(10)13/h2-3,5,7,11,14H,4,6,8-9H2,1H3
InChIKeyXSNYJQSEYJBSNT-UHFFFAOYSA-N
XLogP2.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 52.16
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-chloro-3-fluorophenyl)-5-methoxypentan-2-ol
CID 112653463
1-(4-bromo-2-fluorophenyl)-5-methoxypentan-2-ol
CID 65092198
1-(3-chloro-2-fluorophenyl)-5-methoxypentan-2-ol
CID 114855035
1-(2-fluorophenyl)octan-2-ol
CID 62606363
4-ethoxy-1-(2-fluorophenyl)butan-2-ol
CID 62607286
1-(2-fluorophenyl)-5-methylsulfanylpentan-2-ol
CID 70305624
1-(2-fluorophenyl)-3-(2-methoxyphenyl)propan-2-ol
CID 61263658
N-[2-[(2-fluorophenyl)methyl]-5-methoxypentyl]cyclopropanamine
CID 55083352
1-(3,5-difluorophenyl)-5-methoxypentan-2-ol
CID 115601584
1-(2-fluorophenyl)-3-(4-methoxyphenyl)propan-2-ol
CID 61373072
1-(2,5-dimethylphenyl)-5-methoxypentan-2-ol
CID 65091903
1-(5-chloro-2-methoxyphenyl)-5-methoxypentan-2-ol
CID 65091964

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-5-methoxypentan-2-ol?
The IUPAC name of 1-(2-fluorophenyl)-5-methoxypentan-2-ol (CID 62606164) is 1-(2-fluorophenyl)-5-methoxypentan-2-ol.
What is the SMILES notation for 1-(2-fluorophenyl)-5-methoxypentan-2-ol?
The canonical SMILES for 1-(2-fluorophenyl)-5-methoxypentan-2-ol is COCCCC(O)Cc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-5-methoxypentan-2-ol?
The InChIKey is XSNYJQSEYJBSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO2/c1-15-8-4-6-11(14)9-10-5-2-3-7-12(10)13/h2-3,5,7,11,14H,4,6,8-9H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-5-methoxypentan-2-ol?
1-(2-fluorophenyl)-5-methoxypentan-2-ol has a molecular weight of 212.26 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-5-methoxypentan-2-ol is sourced from PubChem (CID 62606164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).