(2R)-1-(2-chloro-4-fluorophenoxy)-3-propan-2-yloxypropan-2-ol

C12H16ClFO3 — CID 97085392

IUPAC(2R)-1-(2-chloro-4-fluorophenoxy)-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OC[C@@H](O)COc1ccc(F)cc1Cl
InChIInChI=1S/C12H16ClFO3/c1-8(2)16-6-10(15)7-17-12-4-3-9(14)5-11(12)13/h3-5,8,10,15H,6-7H2,1-2H3/t10-/m1/s1
InChIKeyQRZMYIRQBHCFSM-SNVBAGLBSA-N
MW262.71 g/mol
LogP2.64
Rot. Bonds6

About (2R)-1-(2-chloro-4-fluorophenoxy)-3-propan-2-yloxypropan-2-ol

(2R)-1-(2-chloro-4-fluorophenoxy)-3-propan-2-yloxypropan-2-ol (PubChem CID 97085392) has the molecular formula C12H16ClFO3 and a molecular weight of 262.71 g/mol. Its IUPAC name is (2R)-1-(2-chloro-4-fluorophenoxy)-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-(2-chloro-4-fluorophenoxy)-3-propan-2-yloxypropan-2-ol
PubChem CID97085392
Molecular FormulaC12H16ClFO3
Molecular Weight262.71 g/mol
Exact Mass262.08
IUPAC Name(2R)-1-(2-chloro-4-fluorophenoxy)-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OC[C@@H](O)COc1ccc(F)cc1Cl
InChIInChI=1S/C12H16ClFO3/c1-8(2)16-6-10(15)7-17-12-4-3-9(14)5-11(12)13/h3-5,8,10,15H,6-7H2,1-2H3/t10-/m1/s1
InChIKeyQRZMYIRQBHCFSM-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-5-fluorophenoxy)-3-propan-2-yloxypropan-2-ol
CID 124625807
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
4-fluoro-2-(2-hydroxy-3-propan-2-yloxypropoxy)benzoic acid
CID 107014327
(2S)-1-(2-chloro-4-fluorophenoxy)-3-(4-fluorophenyl)sulfonylpropan-2-ol
CID 1485361
(2S)-1-(2-chloro-4-fluorophenoxy)-3-(4-chlorophenyl)sulfonylpropan-2-ol
CID 1485345
1-[2-[(1R)-1-aminoethyl]-4-chlorophenoxy]-3-propan-2-yloxypropan-2-ol
CID 63988427
1-(2-chloro-4-fluorophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 110884437
3-fluoro-4-(2-hydroxy-3-propan-2-yloxypropoxy)benzonitrile
CID 103849787
1-(2-chloro-4-fluorophenoxy)-3-(2-methoxyphenyl)sulfonylpropan-2-ol
CID 5156098
1-(2-bromo-4-fluorophenoxy)butan-2-ol
CID 60880483

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-chloro-4-fluorophenoxy)-3-propan-2-yloxypropan-2-ol?
The IUPAC name of (2R)-1-(2-chloro-4-fluorophenoxy)-3-propan-2-yloxypropan-2-ol (CID 97085392) is (2R)-1-(2-chloro-4-fluorophenoxy)-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for (2R)-1-(2-chloro-4-fluorophenoxy)-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for (2R)-1-(2-chloro-4-fluorophenoxy)-3-propan-2-yloxypropan-2-ol is CC(C)OC[C@@H](O)COc1ccc(F)cc1Cl.
What is the InChIKey of (2R)-1-(2-chloro-4-fluorophenoxy)-3-propan-2-yloxypropan-2-ol?
The InChIKey is QRZMYIRQBHCFSM-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H16ClFO3/c1-8(2)16-6-10(15)7-17-12-4-3-9(14)5-11(12)13/h3-5,8,10,15H,6-7H2,1-2H3/t10-/m1/s1.
What are the key properties of (2R)-1-(2-chloro-4-fluorophenoxy)-3-propan-2-yloxypropan-2-ol?
(2R)-1-(2-chloro-4-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-4-fluorophenoxy)-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 97085392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).