2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propan-1-ol

C13H17FO3 — CID 117353314

IUPAC2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propan-1-ol
SMILESCOc1cc(F)cc(C(C)CO)c1OC1CC1
InChIInChI=1S/C13H17FO3/c1-8(7-15)11-5-9(14)6-12(16-2)13(11)17-10-3-4-10/h5-6,8,10,15H,3-4,7H2,1-2H3
InChIKeyVKPVRCVHIBOQKK-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.47
Rot. Bonds5

About 2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propan-1-ol

2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propan-1-ol (PubChem CID 117353314) 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-1-ol.

Molecular Properties

Compound Name2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propan-1-ol
PubChem CID117353314
Molecular FormulaC13H17FO3
Molecular Weight240.27 g/mol
Exact Mass240.12
IUPAC Name2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propan-1-ol
SMILESCOc1cc(F)cc(C(C)CO)c1OC1CC1
InChIInChI=1S/C13H17FO3/c1-8(7-15)11-5-9(14)6-12(16-2)13(11)17-10-3-4-10/h5-6,8,10,15H,3-4,7H2,1-2H3
InChIKeyVKPVRCVHIBOQKK-UHFFFAOYSA-N
XLogP2.47
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propan-1-amine
CID 117350804
3-amino-2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propanoic acid
CID 117426162
2-amino-2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)acetic acid
CID 117390658
2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propan-2-ol
CID 84701938
2-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)propan-1-ol
CID 117485134
3-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)-2-methylpropanoic acid
CID 117424223
2-(4-fluoro-2-methoxyphenyl)propan-1-ol
CID 105426240
2-[3-methoxy-2-(oxan-4-yloxy)phenyl]propan-1-ol
CID 117420074
2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)-2-oxoacetic acid
CID 117388271
2-(3-bromo-2-cyclopropyloxy-5-methylphenyl)propan-1-ol
CID 117459038
2-[3-methoxy-2-(1-methylpiperidin-4-yl)oxyphenyl]propan-1-ol
CID 117448321
1-[1-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)cyclopropyl]ethanamine
CID 117417328

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propan-1-ol?
The IUPAC name of 2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propan-1-ol (CID 117353314) is 2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propan-1-ol?
The canonical SMILES for 2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propan-1-ol is COc1cc(F)cc(C(C)CO)c1OC1CC1.
What is the InChIKey of 2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propan-1-ol?
The InChIKey is VKPVRCVHIBOQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO3/c1-8(7-15)11-5-9(14)6-12(16-2)13(11)17-10-3-4-10/h5-6,8,10,15H,3-4,7H2,1-2H3.
What are the key properties of 2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propan-1-ol?
2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propan-1-ol has a molecular weight of 240.27 g/mol, XLogP of 2.47, 5 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-1-ol is sourced from PubChem (CID 117353314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).