3-ethyl-1-(3-fluorophenyl)heptan-2-ol

C15H23FO — CID 63017524

IUPAC3-ethyl-1-(3-fluorophenyl)heptan-2-ol
SMILESCCCCC(CC)C(O)Cc1cccc(F)c1
InChIInChI=1S/C15H23FO/c1-3-5-8-13(4-2)15(17)11-12-7-6-9-14(16)10-12/h6-7,9-10,13,15,17H,3-5,8,11H2,1-2H3
InChIKeyCOQBLJBDOFONMA-UHFFFAOYSA-N
MW238.35 g/mol
LogP3.95
Rot. Bonds7

About 3-ethyl-1-(3-fluorophenyl)heptan-2-ol

3-ethyl-1-(3-fluorophenyl)heptan-2-ol (PubChem CID 63017524) has the molecular formula C15H23FO and a molecular weight of 238.35 g/mol. Its IUPAC name is 3-ethyl-1-(3-fluorophenyl)heptan-2-ol.

Molecular Properties

Compound Name3-ethyl-1-(3-fluorophenyl)heptan-2-ol
PubChem CID63017524
Molecular FormulaC15H23FO
Molecular Weight238.35 g/mol
Exact Mass238.17
IUPAC Name3-ethyl-1-(3-fluorophenyl)heptan-2-ol
SMILESCCCCC(CC)C(O)Cc1cccc(F)c1
InChIInChI=1S/C15H23FO/c1-3-5-8-13(4-2)15(17)11-12-7-6-9-14(16)10-12/h6-7,9-10,13,15,17H,3-5,8,11H2,1-2H3
InChIKeyCOQBLJBDOFONMA-UHFFFAOYSA-N
XLogP3.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chlorophenyl)-3-ethylheptan-2-ol
CID 63517929
1-(2-chlorohexyl)-3-fluorobenzene
CID 63542141
(2R)-1-(3-fluorophenyl)pentan-2-ol
CID 89187255
ethane;1-(3-fluorophenyl)pentan-2-ol
CID 143267785
1-(2-ethyl-3-methylbutyl)-3-fluorobenzene
CID 139973435
1-(3-fluorophenyl)nonan-2-amine
CID 63417129
1-[2-(chloromethyl)-4-ethyloctyl]-3-fluorobenzene
CID 66047696
1-(3-bromo-2-ethylbutyl)-3-fluorobenzene
CID 63471794
6-(3-fluorophenyl)hexan-3-ol
CID 64515590
3-ethyl-1-(3-fluorophenyl)heptan-2-one
CID 61079356
1-fluoro-3-[(2S)-2-methylbutyl]benzene
CID 125477231
N-ethyl-1-(3-fluorophenyl)-3-methylheptan-2-amine
CID 114246287

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(3-fluorophenyl)heptan-2-ol?
The IUPAC name of 3-ethyl-1-(3-fluorophenyl)heptan-2-ol (CID 63017524) is 3-ethyl-1-(3-fluorophenyl)heptan-2-ol.
What is the SMILES notation for 3-ethyl-1-(3-fluorophenyl)heptan-2-ol?
The canonical SMILES for 3-ethyl-1-(3-fluorophenyl)heptan-2-ol is CCCCC(CC)C(O)Cc1cccc(F)c1.
What is the InChIKey of 3-ethyl-1-(3-fluorophenyl)heptan-2-ol?
The InChIKey is COQBLJBDOFONMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FO/c1-3-5-8-13(4-2)15(17)11-12-7-6-9-14(16)10-12/h6-7,9-10,13,15,17H,3-5,8,11H2,1-2H3.
What are the key properties of 3-ethyl-1-(3-fluorophenyl)heptan-2-ol?
3-ethyl-1-(3-fluorophenyl)heptan-2-ol has a molecular weight of 238.35 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(3-fluorophenyl)heptan-2-ol is sourced from PubChem (CID 63017524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).