3-(3-fluorophenoxy)-2-(3-methylphenyl)propan-1-ol

C16H17FO2 — CID 117243039

IUPAC3-(3-fluorophenoxy)-2-(3-methylphenyl)propan-1-ol
SMILESCc1cccc(C(CO)COc2cccc(F)c2)c1
InChIInChI=1S/C16H17FO2/c1-12-4-2-5-13(8-12)14(10-18)11-19-16-7-3-6-15(17)9-16/h2-9,14,18H,10-11H2,1H3
InChIKeyBLGWANUFFBOVBI-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.29
Rot. Bonds5

About 3-(3-fluorophenoxy)-2-(3-methylphenyl)propan-1-ol

3-(3-fluorophenoxy)-2-(3-methylphenyl)propan-1-ol (PubChem CID 117243039) has the molecular formula C16H17FO2 and a molecular weight of 260.31 g/mol. Its IUPAC name is 3-(3-fluorophenoxy)-2-(3-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(3-fluorophenoxy)-2-(3-methylphenyl)propan-1-ol
PubChem CID117243039
Molecular FormulaC16H17FO2
Molecular Weight260.31 g/mol
Exact Mass260.12
IUPAC Name3-(3-fluorophenoxy)-2-(3-methylphenyl)propan-1-ol
SMILESCc1cccc(C(CO)COc2cccc(F)c2)c1
InChIInChI=1S/C16H17FO2/c1-12-4-2-5-13(8-12)14(10-18)11-19-16-7-3-6-15(17)9-16/h2-9,14,18H,10-11H2,1H3
InChIKeyBLGWANUFFBOVBI-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

Analyze 3-(3-fluorophenoxy)-2-(3-methylphenyl)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-fluorophenyl)-3-(4-methylphenoxy)propan-1-ol
CID 117243108
3-(3-fluorophenoxy)-2-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 117243023
3-(3-chlorophenoxy)-2-(3-fluorophenyl)propan-1-ol
CID 117243052
2-(3-methylphenyl)-3-pyridin-3-yloxypropan-1-ol
CID 117243147
2-(4-fluorophenyl)-3-(3-methoxyphenoxy)propan-1-ol
CID 117244926
2-(5-bromofuran-2-yl)-3-(3-fluorophenoxy)propan-1-ol
CID 117240583
methyl 2-(3-fluorophenyl)-3-(3-methylphenoxy)propanoate
CID 117243411
3-(5-fluoro-2-methylphenyl)-2-(3-methylphenyl)propan-1-ol
CID 105375965
3-(2,4-difluorophenyl)-2-(3-methylphenyl)propan-1-ol
CID 79417400
3-amino-2-(3-methylphenyl)propan-1-ol
CID 46911824
(2S)-3-amino-2-(3-methylphenyl)propan-1-ol
CID 86327369
2-amino-3-(3-methylphenoxy)propan-1-ol
CID 64802695

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenoxy)-2-(3-methylphenyl)propan-1-ol?
The IUPAC name of 3-(3-fluorophenoxy)-2-(3-methylphenyl)propan-1-ol (CID 117243039) is 3-(3-fluorophenoxy)-2-(3-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-(3-fluorophenoxy)-2-(3-methylphenyl)propan-1-ol?
The canonical SMILES for 3-(3-fluorophenoxy)-2-(3-methylphenyl)propan-1-ol is Cc1cccc(C(CO)COc2cccc(F)c2)c1.
What is the InChIKey of 3-(3-fluorophenoxy)-2-(3-methylphenyl)propan-1-ol?
The InChIKey is BLGWANUFFBOVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FO2/c1-12-4-2-5-13(8-12)14(10-18)11-19-16-7-3-6-15(17)9-16/h2-9,14,18H,10-11H2,1H3.
What are the key properties of 3-(3-fluorophenoxy)-2-(3-methylphenyl)propan-1-ol?
3-(3-fluorophenoxy)-2-(3-methylphenyl)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 3-(3-fluorophenoxy)-2-(3-methylphenyl)propan-1-ol is sourced from PubChem (CID 117243039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).