(2R)-1-(2-chloro-5-fluorophenoxy)-3-propan-2-yloxypropan-2-ol

C12H16ClFO3 — CID 124625807

IUPAC(2R)-1-(2-chloro-5-fluorophenoxy)-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OC[C@@H](O)COc1cc(F)ccc1Cl
InChIInChI=1S/C12H16ClFO3/c1-8(2)16-6-10(15)7-17-12-5-9(14)3-4-11(12)13/h3-5,8,10,15H,6-7H2,1-2H3/t10-/m1/s1
InChIKeyVOUUOQHUAHANAB-SNVBAGLBSA-N
MW262.71 g/mol
LogP2.64
Rot. Bonds6

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

(2R)-1-(2-chloro-5-fluorophenoxy)-3-propan-2-yloxypropan-2-ol (PubChem CID 124625807) has the molecular formula C12H16ClFO3 and a molecular weight of 262.71 g/mol. Its IUPAC name is (2R)-1-(2-chloro-5-fluorophenoxy)-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-(2-chloro-5-fluorophenoxy)-3-propan-2-yloxypropan-2-ol
PubChem CID124625807
Molecular FormulaC12H16ClFO3
Molecular Weight262.71 g/mol
Exact Mass262.08
IUPAC Name(2R)-1-(2-chloro-5-fluorophenoxy)-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OC[C@@H](O)COc1cc(F)ccc1Cl
InChIInChI=1S/C12H16ClFO3/c1-8(2)16-6-10(15)7-17-12-5-9(14)3-4-11(12)13/h3-5,8,10,15H,6-7H2,1-2H3/t10-/m1/s1
InChIKeyVOUUOQHUAHANAB-SNVBAGLBSA-N
XLogP2.64
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.71
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-4-fluorophenoxy)-3-propan-2-yloxypropan-2-ol
CID 71943765
(2R)-1-(2-chloro-4-fluorophenoxy)-3-propan-2-yloxypropan-2-ol
CID 97085392
(2R)-1-amino-3-(2-chloro-5-fluorophenoxy)propan-2-ol
CID 59761877
1-amino-3-(2-chloro-5-fluorophenoxy)propan-2-ol
CID 66793811
4-fluoro-2-(2-hydroxy-3-propan-2-yloxypropoxy)benzoic acid
CID 107014327
1-(2-chloro-5-fluorophenoxy)-3-cyclopentylpropan-2-ol
CID 114264292
1-chloro-2-(2,2-difluoroethoxy)-4-fluorobenzene
CID 130501614
1-chloro-2-ethoxy-4-fluorobenzene
CID 2773702
1-(2-chloro-4-fluorophenoxy)propan-2-ol
CID 65277724
1-[2-chloro-4-[(propan-2-ylamino)methyl]phenoxy]-3-propan-2-yloxypropan-2-ol
CID 63988425
1-[2-(aminomethyl)-3-fluorophenoxy]-3-propan-2-yloxypropan-2-ol
CID 63988415
1-[2-[(1R)-1-aminoethyl]-4-chlorophenoxy]-3-propan-2-yloxypropan-2-ol
CID 63988427

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-chloro-5-fluorophenoxy)-3-propan-2-yloxypropan-2-ol?
The IUPAC name of (2R)-1-(2-chloro-5-fluorophenoxy)-3-propan-2-yloxypropan-2-ol (CID 124625807) is (2R)-1-(2-chloro-5-fluorophenoxy)-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for (2R)-1-(2-chloro-5-fluorophenoxy)-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for (2R)-1-(2-chloro-5-fluorophenoxy)-3-propan-2-yloxypropan-2-ol is CC(C)OC[C@@H](O)COc1cc(F)ccc1Cl.
What is the InChIKey of (2R)-1-(2-chloro-5-fluorophenoxy)-3-propan-2-yloxypropan-2-ol?
The InChIKey is VOUUOQHUAHANAB-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H16ClFO3/c1-8(2)16-6-10(15)7-17-12-5-9(14)3-4-11(12)13/h3-5,8,10,15H,6-7H2,1-2H3/t10-/m1/s1.
What are the key properties of (2R)-1-(2-chloro-5-fluorophenoxy)-3-propan-2-yloxypropan-2-ol?
(2R)-1-(2-chloro-5-fluorophenoxy)-3-propan-2-yloxypropan-2-ol has a molecular weight of 262.71 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-chloro-5-fluorophenoxy)-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 124625807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).