2-(4-fluorophenyl)-3-(3-methoxyphenoxy)propan-1-ol

C16H17FO3 — CID 117244926

IUPAC2-(4-fluorophenyl)-3-(3-methoxyphenoxy)propan-1-ol
SMILESCOc1cccc(OCC(CO)c2ccc(F)cc2)c1
InChIInChI=1S/C16H17FO3/c1-19-15-3-2-4-16(9-15)20-11-13(10-18)12-5-7-14(17)8-6-12/h2-9,13,18H,10-11H2,1H3
InChIKeyVIIKRLXPJPEGQF-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.99
Rot. Bonds6

About 2-(4-fluorophenyl)-3-(3-methoxyphenoxy)propan-1-ol

2-(4-fluorophenyl)-3-(3-methoxyphenoxy)propan-1-ol (PubChem CID 117244926) has the molecular formula C16H17FO3 and a molecular weight of 276.31 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-(3-methoxyphenoxy)propan-1-ol.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-(3-methoxyphenoxy)propan-1-ol
PubChem CID117244926
Molecular FormulaC16H17FO3
Molecular Weight276.31 g/mol
Exact Mass276.12
IUPAC Name2-(4-fluorophenyl)-3-(3-methoxyphenoxy)propan-1-ol
SMILESCOc1cccc(OCC(CO)c2ccc(F)cc2)c1
InChIInChI=1S/C16H17FO3/c1-19-15-3-2-4-16(9-15)20-11-13(10-18)12-5-7-14(17)8-6-12/h2-9,13,18H,10-11H2,1H3
InChIKeyVIIKRLXPJPEGQF-UHFFFAOYSA-N
XLogP2.99
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methoxyphenoxy)-2-(4-methoxyphenyl)propan-1-ol
CID 117244947
3-(3-fluorophenoxy)-2-(3-methylphenyl)propan-1-ol
CID 117243039
(3-methoxyphenoxy)methanol
CID 10442564
3-(3-chlorophenoxy)-2-(3-fluorophenyl)propan-1-ol
CID 117243052
1-fluoro-4-[(3-methoxyphenoxy)methyl]benzene
CID 59165653
2-[(3-methoxyphenoxy)methyl]pentan-1-ol
CID 117241933
2-(3-fluorophenyl)-3-(4-methylphenoxy)propan-1-ol
CID 117243108
3-[4-amino-2-(4-fluorophenyl)hexoxy]phenol
CID 90835218
3-(3-fluorophenoxy)-2-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 117243023
1-[2-bromo-2-(4-fluorophenyl)ethyl]-3-methoxybenzene
CID 61086300
2-(3,5-difluorophenoxy)-1-(3-methoxyphenyl)ethanol
CID 62783956
1-iodo-3-(3-methoxyphenoxy)propan-2-ol
CID 86028408

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-(3-methoxyphenoxy)propan-1-ol?
The IUPAC name of 2-(4-fluorophenyl)-3-(3-methoxyphenoxy)propan-1-ol (CID 117244926) is 2-(4-fluorophenyl)-3-(3-methoxyphenoxy)propan-1-ol.
What is the SMILES notation for 2-(4-fluorophenyl)-3-(3-methoxyphenoxy)propan-1-ol?
The canonical SMILES for 2-(4-fluorophenyl)-3-(3-methoxyphenoxy)propan-1-ol is COc1cccc(OCC(CO)c2ccc(F)cc2)c1.
What is the InChIKey of 2-(4-fluorophenyl)-3-(3-methoxyphenoxy)propan-1-ol?
The InChIKey is VIIKRLXPJPEGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FO3/c1-19-15-3-2-4-16(9-15)20-11-13(10-18)12-5-7-14(17)8-6-12/h2-9,13,18H,10-11H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-3-(3-methoxyphenoxy)propan-1-ol?
2-(4-fluorophenyl)-3-(3-methoxyphenoxy)propan-1-ol has a molecular weight of 276.31 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-(3-methoxyphenoxy)propan-1-ol is sourced from PubChem (CID 117244926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).