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

C16H17FO2 — CID 117243108

IUPAC2-(3-fluorophenyl)-3-(4-methylphenoxy)propan-1-ol
SMILESCc1ccc(OCC(CO)c2cccc(F)c2)cc1
InChIInChI=1S/C16H17FO2/c1-12-5-7-16(8-6-12)19-11-14(10-18)13-3-2-4-15(17)9-13/h2-9,14,18H,10-11H2,1H3
InChIKeyUKHSAKPLAGMCDH-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.29
Rot. Bonds5

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

2-(3-fluorophenyl)-3-(4-methylphenoxy)propan-1-ol (PubChem CID 117243108) has the molecular formula C16H17FO2 and a molecular weight of 260.31 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-3-(4-methylphenoxy)propan-1-ol.

Molecular Properties

Compound Name2-(3-fluorophenyl)-3-(4-methylphenoxy)propan-1-ol
PubChem CID117243108
Molecular FormulaC16H17FO2
Molecular Weight260.31 g/mol
Exact Mass260.12
IUPAC Name2-(3-fluorophenyl)-3-(4-methylphenoxy)propan-1-ol
SMILESCc1ccc(OCC(CO)c2cccc(F)c2)cc1
InChIInChI=1S/C16H17FO2/c1-12-5-7-16(8-6-12)19-11-14(10-18)13-3-2-4-15(17)9-13/h2-9,14,18H,10-11H2,1H3
InChIKeyUKHSAKPLAGMCDH-UHFFFAOYSA-N
XLogP3.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-fluorophenoxy)-2-(3-methylphenyl)propan-1-ol
CID 117243039
3-(3-chlorophenoxy)-2-(3-fluorophenyl)propan-1-ol
CID 117243052
2-(3-fluorophenyl)-3-(4-methylphenoxy)propanoic acid
CID 117243463
3-(3-fluorophenoxy)-2-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 117243023
2-(3-chlorophenyl)-3-(4-methylphenoxy)propan-1-amine
CID 117243107
(2S)-3-amino-2-(3-fluorophenyl)propan-1-ol
CID 124510156
2-(3-methylphenyl)-3-pyridin-3-yloxypropan-1-ol
CID 117243147
2-(4-fluorophenyl)-3-(3-methoxyphenoxy)propan-1-ol
CID 117244926
4-ethylsulfonyl-2-(3-fluorophenyl)butan-1-ol
CID 79431449
3-(5-fluoro-2-methylphenyl)-2-(3-fluorophenyl)propan-1-ol
CID 105375972
3-(4-methylphenoxy)-2-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 117244051
2-(3-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-ol
CID 112592372

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-3-(4-methylphenoxy)propan-1-ol?
The IUPAC name of 2-(3-fluorophenyl)-3-(4-methylphenoxy)propan-1-ol (CID 117243108) is 2-(3-fluorophenyl)-3-(4-methylphenoxy)propan-1-ol.
What is the SMILES notation for 2-(3-fluorophenyl)-3-(4-methylphenoxy)propan-1-ol?
The canonical SMILES for 2-(3-fluorophenyl)-3-(4-methylphenoxy)propan-1-ol is Cc1ccc(OCC(CO)c2cccc(F)c2)cc1.
What is the InChIKey of 2-(3-fluorophenyl)-3-(4-methylphenoxy)propan-1-ol?
The InChIKey is UKHSAKPLAGMCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FO2/c1-12-5-7-16(8-6-12)19-11-14(10-18)13-3-2-4-15(17)9-13/h2-9,14,18H,10-11H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-3-(4-methylphenoxy)propan-1-ol?
2-(3-fluorophenyl)-3-(4-methylphenoxy)propan-1-ol has a molecular weight of 260.31 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-3-(4-methylphenoxy)propan-1-ol is sourced from PubChem (CID 117243108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).