2-(2-fluoro-4-methoxyphenyl)propan-2-ol

C10H13FO2 — CID 13493844

IUPAC2-(2-fluoro-4-methoxyphenyl)propan-2-ol
SMILESCOc1ccc(C(C)(C)O)c(F)c1
InChIInChI=1S/C10H13FO2/c1-10(2,12)8-5-4-7(13-3)6-9(8)11/h4-6,12H,1-3H3
InChIKeyRNCUHIILUNOEGW-UHFFFAOYSA-N
MW184.21 g/mol
LogP2.06
Rot. Bonds2

About 2-(2-fluoro-4-methoxyphenyl)propan-2-ol

2-(2-fluoro-4-methoxyphenyl)propan-2-ol (PubChem CID 13493844) has the molecular formula C10H13FO2 and a molecular weight of 184.21 g/mol. Its IUPAC name is 2-(2-fluoro-4-methoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name2-(2-fluoro-4-methoxyphenyl)propan-2-ol
PubChem CID13493844
Molecular FormulaC10H13FO2
Molecular Weight184.21 g/mol
Exact Mass184.09
IUPAC Name2-(2-fluoro-4-methoxyphenyl)propan-2-ol
SMILESCOc1ccc(C(C)(C)O)c(F)c1
InChIInChI=1S/C10H13FO2/c1-10(2,12)8-5-4-7(13-3)6-9(8)11/h4-6,12H,1-3H3
InChIKeyRNCUHIILUNOEGW-UHFFFAOYSA-N
XLogP2.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-methoxyphenyl)propan-2-ol?
The IUPAC name of 2-(2-fluoro-4-methoxyphenyl)propan-2-ol (CID 13493844) is 2-(2-fluoro-4-methoxyphenyl)propan-2-ol.
What is the SMILES notation for 2-(2-fluoro-4-methoxyphenyl)propan-2-ol?
The canonical SMILES for 2-(2-fluoro-4-methoxyphenyl)propan-2-ol is COc1ccc(C(C)(C)O)c(F)c1.
What is the InChIKey of 2-(2-fluoro-4-methoxyphenyl)propan-2-ol?
The InChIKey is RNCUHIILUNOEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO2/c1-10(2,12)8-5-4-7(13-3)6-9(8)11/h4-6,12H,1-3H3.
What are the key properties of 2-(2-fluoro-4-methoxyphenyl)propan-2-ol?
2-(2-fluoro-4-methoxyphenyl)propan-2-ol has a molecular weight of 184.21 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-methoxyphenyl)propan-2-ol is sourced from PubChem (CID 13493844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).