1-cyclopropyl-3-(2-fluoro-3-methoxyphenyl)propane-1,2-diol

C13H17FO3 — CID 103456969

IUPAC1-cyclopropyl-3-(2-fluoro-3-methoxyphenyl)propane-1,2-diol
SMILESCOc1cccc(CC(O)C(O)C2CC2)c1F
InChIInChI=1S/C13H17FO3/c1-17-11-4-2-3-9(12(11)14)7-10(15)13(16)8-5-6-8/h2-4,8,10,13,15-16H,5-7H2,1H3
InChIKeyYAFFTBMBNCGCFT-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.51
Rot. Bonds5

About 1-cyclopropyl-3-(2-fluoro-3-methoxyphenyl)propane-1,2-diol

1-cyclopropyl-3-(2-fluoro-3-methoxyphenyl)propane-1,2-diol (PubChem CID 103456969) has the molecular formula C13H17FO3 and a molecular weight of 240.27 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2-fluoro-3-methoxyphenyl)propane-1,2-diol.

Molecular Properties

Compound Name1-cyclopropyl-3-(2-fluoro-3-methoxyphenyl)propane-1,2-diol
PubChem CID103456969
Molecular FormulaC13H17FO3
Molecular Weight240.27 g/mol
Exact Mass240.12
IUPAC Name1-cyclopropyl-3-(2-fluoro-3-methoxyphenyl)propane-1,2-diol
SMILESCOc1cccc(CC(O)C(O)C2CC2)c1F
InChIInChI=1S/C13H17FO3/c1-17-11-4-2-3-9(12(11)14)7-10(15)13(16)8-5-6-8/h2-4,8,10,13,15-16H,5-7H2,1H3
InChIKeyYAFFTBMBNCGCFT-UHFFFAOYSA-N
XLogP1.51
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-3-(2-methoxyphenyl)propane-1,2-diol
CID 103456984
2-(2-fluoro-3-methoxyphenyl)-1-(4-methylcyclohexyl)ethanol
CID 104793177
1-(4,4-difluorocyclohexyl)-2-(2-fluoro-3-methoxyphenyl)ethanol
CID 105125713
3-cyclopropyl-1-(2-fluoro-3-methoxyphenyl)butan-2-one
CID 115800224
[2-(2-fluoro-3-methoxyphenyl)-1-(4-methylcyclohexyl)ethyl]hydrazine
CID 105210747
1,1,1-trifluoro-3-(2-fluoro-3-methoxyphenyl)propan-2-ol
CID 104793601
1-(4-aminophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanol
CID 106695530
[1-cyclooctyl-2-(2-fluoro-3-methoxyphenyl)ethyl]hydrazine
CID 105255263
1-(4,4-dimethylcyclohexyl)-2-(2-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 104794042
3-(2-bromo-3-fluorophenyl)-1-cyclopropylpropane-1,2-diol
CID 103456877
2-(2-fluoro-3-methoxyphenyl)-1-pyrimidin-2-ylethanol
CID 104793572
2-[(2-fluoro-3-methoxyphenyl)methyl]butanoic acid
CID 104792787

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2-fluoro-3-methoxyphenyl)propane-1,2-diol?
The IUPAC name of 1-cyclopropyl-3-(2-fluoro-3-methoxyphenyl)propane-1,2-diol (CID 103456969) is 1-cyclopropyl-3-(2-fluoro-3-methoxyphenyl)propane-1,2-diol.
What is the SMILES notation for 1-cyclopropyl-3-(2-fluoro-3-methoxyphenyl)propane-1,2-diol?
The canonical SMILES for 1-cyclopropyl-3-(2-fluoro-3-methoxyphenyl)propane-1,2-diol is COc1cccc(CC(O)C(O)C2CC2)c1F.
What is the InChIKey of 1-cyclopropyl-3-(2-fluoro-3-methoxyphenyl)propane-1,2-diol?
The InChIKey is YAFFTBMBNCGCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO3/c1-17-11-4-2-3-9(12(11)14)7-10(15)13(16)8-5-6-8/h2-4,8,10,13,15-16H,5-7H2,1H3.
What are the key properties of 1-cyclopropyl-3-(2-fluoro-3-methoxyphenyl)propane-1,2-diol?
1-cyclopropyl-3-(2-fluoro-3-methoxyphenyl)propane-1,2-diol has a molecular weight of 240.27 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2-fluoro-3-methoxyphenyl)propane-1,2-diol is sourced from PubChem (CID 103456969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).