3-(5-chloro-2-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-ol

C13H16ClFO2 — CID 103048349

IUPAC3-(5-chloro-2-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-ol
SMILESCOC(C(O)Cc1cc(Cl)ccc1F)C1CC1
InChIInChI=1S/C13H16ClFO2/c1-17-13(8-2-3-8)12(16)7-9-6-10(14)4-5-11(9)15/h4-6,8,12-13,16H,2-3,7H2,1H3
InChIKeyHLEGFJPDQNEZSR-UHFFFAOYSA-N
MW258.72 g/mol
LogP2.81
Rot. Bonds5

About 3-(5-chloro-2-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-ol

3-(5-chloro-2-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-ol (PubChem CID 103048349) has the molecular formula C13H16ClFO2 and a molecular weight of 258.72 g/mol. Its IUPAC name is 3-(5-chloro-2-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-ol.

Molecular Properties

Compound Name3-(5-chloro-2-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-ol
PubChem CID103048349
Molecular FormulaC13H16ClFO2
Molecular Weight258.72 g/mol
Exact Mass258.08
IUPAC Name3-(5-chloro-2-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-ol
SMILESCOC(C(O)Cc1cc(Cl)ccc1F)C1CC1
InChIInChI=1S/C13H16ClFO2/c1-17-13(8-2-3-8)12(16)7-9-6-10(14)4-5-11(9)15/h4-6,8,12-13,16H,2-3,7H2,1H3
InChIKeyHLEGFJPDQNEZSR-UHFFFAOYSA-N
XLogP2.81
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.72
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-bromo-5-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-ol
CID 116712649
1-(5-chloro-2-fluorophenyl)-4-methoxy-3-methylbutan-2-ol
CID 103047797
1-cyclopropyl-3-(2,5-dimethylphenyl)-1-methoxypropan-2-ol
CID 116712602
3-(4-chloro-3-fluorophenyl)-1-cyclohexyl-1-methoxypropan-2-ol
CID 107884380
1-cyclopropyl-3-(2,6-dichlorophenyl)-1-methoxypropan-2-ol
CID 116712594
3-(4-bromo-2-chlorophenyl)-1-cyclohexyl-1-methoxypropan-2-ol
CID 116756312
1-cyclopropyl-3-(2,5-difluorophenyl)propane-1,2-diol
CID 103456708
1-(5-chloro-2-fluorophenyl)-4,4-dimethylpentane-2,3-diol
CID 103457308
3-cyclopropyl-1-(2,5-difluorophenyl)butan-2-ol
CID 114982150
4-(5-chloro-2-fluorophenyl)-3-methylbutan-2-ol
CID 103049449
1-cyclopropyl-3-(3,4-dimethylphenyl)-1-methoxypropan-2-ol
CID 116712521
1-cyclopropyl-1-methoxy-3-(2,4,6-trimethylphenyl)propan-2-ol
CID 116712644

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-ol?
The IUPAC name of 3-(5-chloro-2-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-ol (CID 103048349) is 3-(5-chloro-2-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-ol.
What is the SMILES notation for 3-(5-chloro-2-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-ol?
The canonical SMILES for 3-(5-chloro-2-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-ol is COC(C(O)Cc1cc(Cl)ccc1F)C1CC1.
What is the InChIKey of 3-(5-chloro-2-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-ol?
The InChIKey is HLEGFJPDQNEZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFO2/c1-17-13(8-2-3-8)12(16)7-9-6-10(14)4-5-11(9)15/h4-6,8,12-13,16H,2-3,7H2,1H3.
What are the key properties of 3-(5-chloro-2-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-ol?
3-(5-chloro-2-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-ol has a molecular weight of 258.72 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 3-(5-chloro-2-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-ol is sourced from PubChem (CID 103048349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).