1-(4-chloro-2-fluorophenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

C13H18ClFO2 — CID 105132898

IUPAC1-(4-chloro-2-fluorophenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SMILESCC(C)(C)OCC(O)Cc1ccc(Cl)cc1F
InChIInChI=1S/C13H18ClFO2/c1-13(2,3)17-8-11(16)6-9-4-5-10(14)7-12(9)15/h4-5,7,11,16H,6,8H2,1-3H3
InChIKeyMOHKOUVPAMVBJN-UHFFFAOYSA-N
MW260.74 g/mol
LogP3.20
Rot. Bonds4

About 1-(4-chloro-2-fluorophenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

1-(4-chloro-2-fluorophenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (PubChem CID 105132898) has the molecular formula C13H18ClFO2 and a molecular weight of 260.74 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
PubChem CID105132898
Molecular FormulaC13H18ClFO2
Molecular Weight260.74 g/mol
Exact Mass260.10
IUPAC Name1-(4-chloro-2-fluorophenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SMILESCC(C)(C)OCC(O)Cc1ccc(Cl)cc1F
InChIInChI=1S/C13H18ClFO2/c1-13(2,3)17-8-11(16)6-9-4-5-10(14)7-12(9)15/h4-5,7,11,16H,6,8H2,1-3H3
InChIKeyMOHKOUVPAMVBJN-UHFFFAOYSA-N
XLogP3.20
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.74
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-2-fluorophenyl)butan-2-ol
CID 114852176
1-(4-chloro-2-fluorophenyl)-3-(4-chlorophenoxy)propan-2-ol
CID 105132914
4-amino-1-(4-chloro-2-fluorophenyl)butan-2-ol
CID 114852702
1-(5-chloro-2-fluorophenyl)-3-propan-2-yloxypropan-2-ol
CID 103053467
1-(4-chloro-2-fluorophenyl)-3-propan-2-ylsulfanylpropan-2-ol
CID 114854652
1-(4-chloro-2-fluorophenyl)-4-methylsulfanylbutan-2-ol
CID 114852183
1-(4-chloro-2-fluorophenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-one
CID 105135666
1-(4-chloro-2-fluorophenyl)-3-(2-methoxyphenyl)propan-2-ol
CID 114854536
1-(4-chloro-2-fluorophenyl)-4-ethylsulfanylbutan-2-ol
CID 114852759
1-(3-chloro-4-fluorophenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 103042919
2-(4-chloro-2-fluorophenyl)-1-(2,5-dichlorophenyl)ethanol
CID 115839677
1-(4-chloro-2-fluorophenyl)-3-pyridin-4-ylpropan-2-ol
CID 114854587

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (CID 105132898) is 1-(4-chloro-2-fluorophenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is CC(C)(C)OCC(O)Cc1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The InChIKey is MOHKOUVPAMVBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFO2/c1-13(2,3)17-8-11(16)6-9-4-5-10(14)7-12(9)15/h4-5,7,11,16H,6,8H2,1-3H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
1-(4-chloro-2-fluorophenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol has a molecular weight of 260.74 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is sourced from PubChem (CID 105132898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).