1-(2,4-difluorophenyl)-3-ethoxypropan-1-ol

C11H14F2O2 — CID 115608674

IUPAC1-(2,4-difluorophenyl)-3-ethoxypropan-1-ol
SMILESCCOCCC(O)c1ccc(F)cc1F
InChIInChI=1S/C11H14F2O2/c1-2-15-6-5-11(14)9-4-3-8(12)7-10(9)13/h3-4,7,11,14H,2,5-6H2,1H3
InChIKeyNMBMSUDAFZMOAG-UHFFFAOYSA-N
MW216.23 g/mol
LogP2.42
Rot. Bonds5

About 1-(2,4-difluorophenyl)-3-ethoxypropan-1-ol

1-(2,4-difluorophenyl)-3-ethoxypropan-1-ol (PubChem CID 115608674) has the molecular formula C11H14F2O2 and a molecular weight of 216.23 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-ethoxypropan-1-ol.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-ethoxypropan-1-ol
PubChem CID115608674
Molecular FormulaC11H14F2O2
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name1-(2,4-difluorophenyl)-3-ethoxypropan-1-ol
SMILESCCOCCC(O)c1ccc(F)cc1F
InChIInChI=1S/C11H14F2O2/c1-2-15-6-5-11(14)9-4-3-8(12)7-10(9)13/h3-4,7,11,14H,2,5-6H2,1H3
InChIKeyNMBMSUDAFZMOAG-UHFFFAOYSA-N
XLogP2.42
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-difluorophenyl)-2-(2-ethoxyethylamino)ethanol
CID 54937805
1-(2,4-difluorophenyl)-3-sulfanylpropan-1-ol
CID 116830989
1-(2,4-difluorophenyl)-3-(dimethylamino)propan-1-ol
CID 83810140
1-(2,4-difluorophenyl)-4-ethylsulfonylbutan-1-ol
CID 65095993
1-(2,4-difluorophenyl)-3-methylbutan-1-ol
CID 61087910
1-(2-chlorophenyl)-3-ethoxypropan-1-ol
CID 115601597
3-ethoxy-1-(2-methoxyphenyl)propan-1-ol
CID 112688199
1-(2,4-difluorophenyl)-2-[4-(ethoxymethyl)piperidin-1-yl]ethanol
CID 111122492
3-ethoxy-1-(4-methoxy-2-methylphenyl)propan-1-ol
CID 105083019
1-(2,4-difluorophenyl)pentane-1,2-diol
CID 103455031
4-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-1-methoxybutan-2-ol
CID 106246645
3-ethoxy-1-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 105096259

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-ethoxypropan-1-ol?
The IUPAC name of 1-(2,4-difluorophenyl)-3-ethoxypropan-1-ol (CID 115608674) is 1-(2,4-difluorophenyl)-3-ethoxypropan-1-ol.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-ethoxypropan-1-ol?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-ethoxypropan-1-ol is CCOCCC(O)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-ethoxypropan-1-ol?
The InChIKey is NMBMSUDAFZMOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2O2/c1-2-15-6-5-11(14)9-4-3-8(12)7-10(9)13/h3-4,7,11,14H,2,5-6H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-3-ethoxypropan-1-ol?
1-(2,4-difluorophenyl)-3-ethoxypropan-1-ol has a molecular weight of 216.23 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-ethoxypropan-1-ol is sourced from PubChem (CID 115608674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).