2-(3-fluorophenyl)-4-methylheptan-2-ol

C14H21FO — CID 65145180

IUPAC2-(3-fluorophenyl)-4-methylheptan-2-ol
SMILESCCCC(C)CC(C)(O)c1cccc(F)c1
InChIInChI=1S/C14H21FO/c1-4-6-11(2)10-14(3,16)12-7-5-8-13(15)9-12/h5,7-9,11,16H,4,6,10H2,1-3H3
InChIKeyQSEAPUFXUXSPAU-UHFFFAOYSA-N
MW224.32 g/mol
LogP3.86
Rot. Bonds5

About 2-(3-fluorophenyl)-4-methylheptan-2-ol

2-(3-fluorophenyl)-4-methylheptan-2-ol (PubChem CID 65145180) has the molecular formula C14H21FO and a molecular weight of 224.32 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-4-methylheptan-2-ol.

Molecular Properties

Compound Name2-(3-fluorophenyl)-4-methylheptan-2-ol
PubChem CID65145180
Molecular FormulaC14H21FO
Molecular Weight224.32 g/mol
Exact Mass224.16
IUPAC Name2-(3-fluorophenyl)-4-methylheptan-2-ol
SMILESCCCC(C)CC(C)(O)c1cccc(F)c1
InChIInChI=1S/C14H21FO/c1-4-6-11(2)10-14(3,16)12-7-5-8-13(15)9-12/h5,7-9,11,16H,4,6,10H2,1-3H3
InChIKeyQSEAPUFXUXSPAU-UHFFFAOYSA-N
XLogP3.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-(3-fluorophenyl)pentan-2-ol
CID 93299056
2-(3-fluorophenyl)-1-(propan-2-ylamino)propan-2-ol
CID 62773399
1-(3,5-difluorophenyl)-2-(3-fluorophenyl)propan-2-ol
CID 105402440
3-(3-fluorophenyl)-5-methylheptan-3-ol
CID 114872328
1-(ethylamino)-2-(3-fluorophenyl)propan-2-ol
CID 62775143
2-(3-fluorophenyl)pent-4-en-2-ol
CID 22086786
1-(4-chlorophenyl)-2-(3-fluorophenyl)propan-2-ol
CID 60798764
2-(3-fluorophenyl)-1-(4-iodophenyl)propan-2-ol
CID 65479485
1-bromo-1-(3-fluorophenyl)ethanol
CID 143635660
1-(4-fluorophenyl)-2,4-dimethylheptan-2-ol
CID 114833191
ethyl 2-fluoro-3-(3-fluorophenyl)-3-hydroxybutanoate
CID 79367020
diethyl 2-[1-(3-fluorophenyl)-1-hydroxyethyl]propanedioate
CID 62395295

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-4-methylheptan-2-ol?
The IUPAC name of 2-(3-fluorophenyl)-4-methylheptan-2-ol (CID 65145180) is 2-(3-fluorophenyl)-4-methylheptan-2-ol.
What is the SMILES notation for 2-(3-fluorophenyl)-4-methylheptan-2-ol?
The canonical SMILES for 2-(3-fluorophenyl)-4-methylheptan-2-ol is CCCC(C)CC(C)(O)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-4-methylheptan-2-ol?
The InChIKey is QSEAPUFXUXSPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FO/c1-4-6-11(2)10-14(3,16)12-7-5-8-13(15)9-12/h5,7-9,11,16H,4,6,10H2,1-3H3.
What are the key properties of 2-(3-fluorophenyl)-4-methylheptan-2-ol?
2-(3-fluorophenyl)-4-methylheptan-2-ol has a molecular weight of 224.32 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-4-methylheptan-2-ol is sourced from PubChem (CID 65145180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).