2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propan-2-ol

C13H17FO3 — CID 84701938

IUPAC2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propan-2-ol
SMILESCOc1cc(F)cc(C(C)(C)O)c1OC1CC1
InChIInChI=1S/C13H17FO3/c1-13(2,15)10-6-8(14)7-11(16-3)12(10)17-9-4-5-9/h6-7,9,15H,4-5H2,1-3H3
InChIKeyGPAPQLVTFFMZSQ-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.60
Rot. Bonds4

About 2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propan-2-ol

2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propan-2-ol (PubChem CID 84701938) has the molecular formula C13H17FO3 and a molecular weight of 240.27 g/mol. Its IUPAC name is 2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propan-2-ol
PubChem CID84701938
Molecular FormulaC13H17FO3
Molecular Weight240.27 g/mol
Exact Mass240.12
IUPAC Name2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propan-2-ol
SMILESCOc1cc(F)cc(C(C)(C)O)c1OC1CC1
InChIInChI=1S/C13H17FO3/c1-13(2,15)10-6-8(14)7-11(16-3)12(10)17-9-4-5-9/h6-7,9,15H,4-5H2,1-3H3
InChIKeyGPAPQLVTFFMZSQ-UHFFFAOYSA-N
XLogP2.60
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propan-1-ol
CID 117353314
2-amino-2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)acetic acid
CID 117390658
2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propan-1-amine
CID 117350804
2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)-2-oxoacetic acid
CID 117388271
3-amino-2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propanoic acid
CID 117426162
3-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)-2-methylpropanoic acid
CID 117424223
4-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)butan-1-amine
CID 117386233
1-[1-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)cyclopropyl]ethanamine
CID 117417328
2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)-2-methylpyrrolidine
CID 117417338
[1-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)cyclopentyl]methanamine
CID 117448113
2-[2-(cyclobutylmethoxy)-5-fluorophenyl]propan-2-ol
CID 84700745
2-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)propan-2-ol
CID 84706691

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propan-2-ol?
The IUPAC name of 2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propan-2-ol (CID 84701938) is 2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propan-2-ol.
What is the SMILES notation for 2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propan-2-ol?
The canonical SMILES for 2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propan-2-ol is COc1cc(F)cc(C(C)(C)O)c1OC1CC1.
What is the InChIKey of 2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propan-2-ol?
The InChIKey is GPAPQLVTFFMZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO3/c1-13(2,15)10-6-8(14)7-11(16-3)12(10)17-9-4-5-9/h6-7,9,15H,4-5H2,1-3H3.
What are the key properties of 2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propan-2-ol?
2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propan-2-ol has a molecular weight of 240.27 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propan-2-ol is sourced from PubChem (CID 84701938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).