1-(5-chloro-2-fluorophenyl)-3-propan-2-yloxypropan-2-ol

C12H16ClFO2 — CID 103053467

IUPAC1-(5-chloro-2-fluorophenyl)-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)Cc1cc(Cl)ccc1F
InChIInChI=1S/C12H16ClFO2/c1-8(2)16-7-11(15)6-9-5-10(13)3-4-12(9)14/h3-5,8,11,15H,6-7H2,1-2H3
InChIKeyMVAJMWFANVJVKP-UHFFFAOYSA-N
MW246.71 g/mol
LogP2.81
Rot. Bonds5

About 1-(5-chloro-2-fluorophenyl)-3-propan-2-yloxypropan-2-ol

1-(5-chloro-2-fluorophenyl)-3-propan-2-yloxypropan-2-ol (PubChem CID 103053467) has the molecular formula C12H16ClFO2 and a molecular weight of 246.71 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-3-propan-2-yloxypropan-2-ol
PubChem CID103053467
Molecular FormulaC12H16ClFO2
Molecular Weight246.71 g/mol
Exact Mass246.08
IUPAC Name1-(5-chloro-2-fluorophenyl)-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)Cc1cc(Cl)ccc1F
InChIInChI=1S/C12H16ClFO2/c1-8(2)16-7-11(15)6-9-5-10(13)3-4-12(9)14/h3-5,8,11,15H,6-7H2,1-2H3
InChIKeyMVAJMWFANVJVKP-UHFFFAOYSA-N
XLogP2.81
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.71
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5-chloro-2-fluorophenyl)-3-methylbutan-2-ol
CID 103049449
1-(4-fluoro-2-methylphenyl)-3-propan-2-yloxypropan-2-ol
CID 105131331
1-(5-chloro-2-fluorophenyl)-4,5,5-trimethylhexan-2-ol
CID 103053392
1-(5-chloro-2-fluorophenyl)-4-methoxy-3-methylbutan-2-ol
CID 103047797
1-(5-chloro-2-fluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-ol
CID 103048235
1-(4-chloro-2-fluorophenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 105132898
4-chloro-2-(4-chloro-2-methylpentyl)-1-fluorobenzene
CID 103050578
3-(5-chloro-2-fluorophenyl)-2-methylpropanoic acid
CID 83402731
3-(5-chloro-2-fluorophenyl)-2-hydroxypropanoic acid
CID 83441782
1-(4-chloro-2-fluorophenyl)butan-2-ol
CID 114852176
1-(5-chloro-2-fluorophenyl)-4,4-dimethylpentane-2,3-diol
CID 103457308
3-(5-chloro-2-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-ol
CID 103048349

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-3-propan-2-yloxypropan-2-ol (CID 103053467) is 1-(5-chloro-2-fluorophenyl)-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-3-propan-2-yloxypropan-2-ol is CC(C)OCC(O)Cc1cc(Cl)ccc1F.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-3-propan-2-yloxypropan-2-ol?
The InChIKey is MVAJMWFANVJVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFO2/c1-8(2)16-7-11(15)6-9-5-10(13)3-4-12(9)14/h3-5,8,11,15H,6-7H2,1-2H3.
What are the key properties of 1-(5-chloro-2-fluorophenyl)-3-propan-2-yloxypropan-2-ol?
1-(5-chloro-2-fluorophenyl)-3-propan-2-yloxypropan-2-ol has a molecular weight of 246.71 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluorophenyl)-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 103053467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).