5-ethyl-3-(2-fluorophenyl)heptan-3-ol

C15H23FO — CID 112679496

IUPAC5-ethyl-3-(2-fluorophenyl)heptan-3-ol
SMILESCCC(CC)CC(O)(CC)c1ccccc1F
InChIInChI=1S/C15H23FO/c1-4-12(5-2)11-15(17,6-3)13-9-7-8-10-14(13)16/h7-10,12,17H,4-6,11H2,1-3H3
InChIKeyNLDYTIFGBODMNP-UHFFFAOYSA-N
MW238.35 g/mol
LogP4.25
Rot. Bonds6

About 5-ethyl-3-(2-fluorophenyl)heptan-3-ol

5-ethyl-3-(2-fluorophenyl)heptan-3-ol (PubChem CID 112679496) has the molecular formula C15H23FO and a molecular weight of 238.35 g/mol. Its IUPAC name is 5-ethyl-3-(2-fluorophenyl)heptan-3-ol.

Molecular Properties

Compound Name5-ethyl-3-(2-fluorophenyl)heptan-3-ol
PubChem CID112679496
Molecular FormulaC15H23FO
Molecular Weight238.35 g/mol
Exact Mass238.17
IUPAC Name5-ethyl-3-(2-fluorophenyl)heptan-3-ol
SMILESCCC(CC)CC(O)(CC)c1ccccc1F
InChIInChI=1S/C15H23FO/c1-4-12(5-2)11-15(17,6-3)13-9-7-8-10-14(13)16/h7-10,12,17H,4-6,11H2,1-3H3
InChIKeyNLDYTIFGBODMNP-UHFFFAOYSA-N
XLogP4.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,6-difluorophenyl)-2-(2-fluorophenyl)butan-2-ol
CID 114931152
1,1-bis(2-fluorophenyl)propan-1-ol
CID 112679425
1-(2,3-difluorophenyl)-2-(2-fluorophenyl)butan-2-ol
CID 115996284
3-(2-fluorophenyl)-7,7-dimethyloctan-3-ol
CID 114209768
2-(2-ethylhexyl)-2-(2-fluorophenyl)propane-1,3-diol
CID 79447728
4-(aminomethyl)-3-(2-fluorophenyl)hexan-3-ol
CID 112680356
1-(2,3-dichlorophenyl)-2-(2-fluorophenyl)butan-2-ol
CID 107307633
1,1-difluoro-2-(2-fluorophenyl)butan-2-amine
CID 112680130
3-(2-fluorophenyl)-2-methylpentan-3-amine
CID 62501287
1-cyclopropyl-1-(2-fluorophenyl)propan-1-ol
CID 64918927
1-(2-fluorophenyl)-1-(4-methylphenyl)propan-1-ol
CID 112679383
1-bromo-2-(2-fluorophenyl)-3-trimethylsilylpropan-2-ol
CID 19086806

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(2-fluorophenyl)heptan-3-ol?
The IUPAC name of 5-ethyl-3-(2-fluorophenyl)heptan-3-ol (CID 112679496) is 5-ethyl-3-(2-fluorophenyl)heptan-3-ol.
What is the SMILES notation for 5-ethyl-3-(2-fluorophenyl)heptan-3-ol?
The canonical SMILES for 5-ethyl-3-(2-fluorophenyl)heptan-3-ol is CCC(CC)CC(O)(CC)c1ccccc1F.
What is the InChIKey of 5-ethyl-3-(2-fluorophenyl)heptan-3-ol?
The InChIKey is NLDYTIFGBODMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FO/c1-4-12(5-2)11-15(17,6-3)13-9-7-8-10-14(13)16/h7-10,12,17H,4-6,11H2,1-3H3.
What are the key properties of 5-ethyl-3-(2-fluorophenyl)heptan-3-ol?
5-ethyl-3-(2-fluorophenyl)heptan-3-ol has a molecular weight of 238.35 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(2-fluorophenyl)heptan-3-ol is sourced from PubChem (CID 112679496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).