1-(2-fluoro-3-methylphenyl)undecan-1-ol

C18H29FO — CID 115789168

IUPAC1-(2-fluoro-3-methylphenyl)undecan-1-ol
SMILESCCCCCCCCCCC(O)c1cccc(C)c1F
InChIInChI=1S/C18H29FO/c1-3-4-5-6-7-8-9-10-14-17(20)16-13-11-12-15(2)18(16)19/h11-13,17,20H,3-10,14H2,1-2H3
InChIKeyLOVMNIUXUOTBSV-UHFFFAOYSA-N
MW280.43 g/mol
LogP5.70
Rot. Bonds10

About 1-(2-fluoro-3-methylphenyl)undecan-1-ol

1-(2-fluoro-3-methylphenyl)undecan-1-ol (PubChem CID 115789168) has the molecular formula C18H29FO and a molecular weight of 280.43 g/mol. Its IUPAC name is 1-(2-fluoro-3-methylphenyl)undecan-1-ol.

Molecular Properties

Compound Name1-(2-fluoro-3-methylphenyl)undecan-1-ol
PubChem CID115789168
Molecular FormulaC18H29FO
Molecular Weight280.43 g/mol
Exact Mass280.22
IUPAC Name1-(2-fluoro-3-methylphenyl)undecan-1-ol
SMILESCCCCCCCCCCC(O)c1cccc(C)c1F
InChIInChI=1S/C18H29FO/c1-3-4-5-6-7-8-9-10-14-17(20)16-13-11-12-15(2)18(16)19/h11-13,17,20H,3-10,14H2,1-2H3
InChIKeyLOVMNIUXUOTBSV-UHFFFAOYSA-N
XLogP5.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.43
LogP ≤ 55.70
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

1-(2,3-dimethylphenyl)octan-1-ol
CID 63900365
1-(2-fluoro-3-methylphenyl)octylhydrazine
CID 105293647
1-(2-fluoro-3-methylphenyl)undecylhydrazine
CID 105298411
1-(2-fluoro-3-methylphenyl)propan-1-ol
CID 115787793
1-(2-fluoro-3-methylphenyl)-N-methyloctan-1-amine
CID 115832230
1-(2-fluoro-3-methylphenyl)-N-propyloctan-1-amine
CID 115832334
1-(2-fluoro-3-methylphenyl)-3-phenylpropan-1-ol
CID 114979028
1-(2-chloro-3-fluorophenyl)hexan-1-ol
CID 115784419
1-(2-methylsulfanylphenyl)heptan-1-ol
CID 115783455
2-[1-(2-hydroxy-3-methylphenyl)undecyl]-6-methylphenol
CID 135345596
1-(2-fluoro-5-methylphenyl)undecan-1-ol
CID 115789089
1-[2-(trifluoromethyl)phenyl]nonan-1-ol
CID 65148219

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methylphenyl)undecan-1-ol?
The IUPAC name of 1-(2-fluoro-3-methylphenyl)undecan-1-ol (CID 115789168) is 1-(2-fluoro-3-methylphenyl)undecan-1-ol.
What is the SMILES notation for 1-(2-fluoro-3-methylphenyl)undecan-1-ol?
The canonical SMILES for 1-(2-fluoro-3-methylphenyl)undecan-1-ol is CCCCCCCCCCC(O)c1cccc(C)c1F.
What is the InChIKey of 1-(2-fluoro-3-methylphenyl)undecan-1-ol?
The InChIKey is LOVMNIUXUOTBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FO/c1-3-4-5-6-7-8-9-10-14-17(20)16-13-11-12-15(2)18(16)19/h11-13,17,20H,3-10,14H2,1-2H3.
What are the key properties of 1-(2-fluoro-3-methylphenyl)undecan-1-ol?
1-(2-fluoro-3-methylphenyl)undecan-1-ol has a molecular weight of 280.43 g/mol, XLogP of 5.70, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methylphenyl)undecan-1-ol is sourced from PubChem (CID 115789168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).