ethane;2-[1-(2-fluoro-3-methylphenyl)cyclopropyl]propan-2-ol

C15H23FO — CID 164918618

IUPACethane;2-[1-(2-fluoro-3-methylphenyl)cyclopropyl]propan-2-ol
SMILESCC.Cc1cccc(C2(C(C)(C)O)CC2)c1F
InChIInChI=1S/C13H17FO.C2H6/c1-9-5-4-6-10(11(9)14)13(7-8-13)12(2,3)15;1-2/h4-6,15H,7-8H2,1-3H3;1-2H3
InChIKeyDBKBHJHSLZEJJO-UHFFFAOYSA-N
MW238.35 g/mol
LogP3.96
Rot. Bonds2

About ethane;2-[1-(2-fluoro-3-methylphenyl)cyclopropyl]propan-2-ol

ethane;2-[1-(2-fluoro-3-methylphenyl)cyclopropyl]propan-2-ol (PubChem CID 164918618) has the molecular formula C15H23FO and a molecular weight of 238.35 g/mol. Its IUPAC name is ethane;2-[1-(2-fluoro-3-methylphenyl)cyclopropyl]propan-2-ol.

Molecular Properties

Compound Nameethane;2-[1-(2-fluoro-3-methylphenyl)cyclopropyl]propan-2-ol
PubChem CID164918618
Molecular FormulaC15H23FO
Molecular Weight238.35 g/mol
Exact Mass238.17
IUPAC Nameethane;2-[1-(2-fluoro-3-methylphenyl)cyclopropyl]propan-2-ol
SMILESCC.Cc1cccc(C2(C(C)(C)O)CC2)c1F
InChIInChI=1S/C13H17FO.C2H6/c1-9-5-4-6-10(11(9)14)13(7-8-13)12(2,3)15;1-2/h4-6,15H,7-8H2,1-3H3;1-2H3
InChIKeyDBKBHJHSLZEJJO-UHFFFAOYSA-N
XLogP3.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1-(2-fluoro-3-methylanilino)-2-methylpropan-2-ol
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2-bromo-N-[(1-fluorocyclopropyl)methyl]-3-methylaniline
CID 130644724
3-(2-fluoro-3-methylphenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
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Frequently Asked Questions

What is the IUPAC name of ethane;2-[1-(2-fluoro-3-methylphenyl)cyclopropyl]propan-2-ol?
The IUPAC name of ethane;2-[1-(2-fluoro-3-methylphenyl)cyclopropyl]propan-2-ol (CID 164918618) is ethane;2-[1-(2-fluoro-3-methylphenyl)cyclopropyl]propan-2-ol.
What is the SMILES notation for ethane;2-[1-(2-fluoro-3-methylphenyl)cyclopropyl]propan-2-ol?
The canonical SMILES for ethane;2-[1-(2-fluoro-3-methylphenyl)cyclopropyl]propan-2-ol is CC.Cc1cccc(C2(C(C)(C)O)CC2)c1F.
What is the InChIKey of ethane;2-[1-(2-fluoro-3-methylphenyl)cyclopropyl]propan-2-ol?
The InChIKey is DBKBHJHSLZEJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO.C2H6/c1-9-5-4-6-10(11(9)14)13(7-8-13)12(2,3)15;1-2/h4-6,15H,7-8H2,1-3H3;1-2H3.
What are the key properties of ethane;2-[1-(2-fluoro-3-methylphenyl)cyclopropyl]propan-2-ol?
ethane;2-[1-(2-fluoro-3-methylphenyl)cyclopropyl]propan-2-ol has a molecular weight of 238.35 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[1-(2-fluoro-3-methylphenyl)cyclopropyl]propan-2-ol is sourced from PubChem (CID 164918618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).