1-(3-fluoro-4-methoxyphenyl)-2-(3-methylthiophen-2-yl)propan-2-ol

C15H17FO2S — CID 65149465

IUPAC1-(3-fluoro-4-methoxyphenyl)-2-(3-methylthiophen-2-yl)propan-2-ol
SMILESCOc1ccc(CC(C)(O)c2sccc2C)cc1F
InChIInChI=1S/C15H17FO2S/c1-10-6-7-19-14(10)15(2,17)9-11-4-5-13(18-3)12(16)8-11/h4-8,17H,9H2,1-3H3
InChIKeyIJTTYHPEPIRTNX-UHFFFAOYSA-N
MW280.36 g/mol
LogP3.65
Rot. Bonds4

About 1-(3-fluoro-4-methoxyphenyl)-2-(3-methylthiophen-2-yl)propan-2-ol

1-(3-fluoro-4-methoxyphenyl)-2-(3-methylthiophen-2-yl)propan-2-ol (PubChem CID 65149465) has the molecular formula C15H17FO2S and a molecular weight of 280.36 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-2-(3-methylthiophen-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-2-(3-methylthiophen-2-yl)propan-2-ol
PubChem CID65149465
Molecular FormulaC15H17FO2S
Molecular Weight280.36 g/mol
Exact Mass280.09
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-2-(3-methylthiophen-2-yl)propan-2-ol
SMILESCOc1ccc(CC(C)(O)c2sccc2C)cc1F
InChIInChI=1S/C15H17FO2S/c1-10-6-7-19-14(10)15(2,17)9-11-4-5-13(18-3)12(16)8-11/h4-8,17H,9H2,1-3H3
InChIKeyIJTTYHPEPIRTNX-UHFFFAOYSA-N
XLogP3.65
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethylphenyl)-1-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 65146874
1-(3-fluoro-4-methoxyphenyl)-2-(2-methylphenyl)propan-2-ol
CID 65144733
1-(5-bromo-2-methoxyphenyl)-2-(3-methylthiophen-2-yl)propan-2-ol
CID 63990515
2-(4-ethylphenyl)-1-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 65147032
1-(4-ethylphenyl)-2-(3-methylthiophen-2-yl)propan-2-ol
CID 63990522
2-ethyl-2-[(3-fluoro-4-methoxyphenyl)methyl]butan-1-ol
CID 66058297
1-(3-fluoro-4-methoxyphenyl)-3-methoxy-2-methylpropan-2-amine
CID 62622774
2-(aminomethyl)-3-(3-fluoro-4-methoxyphenyl)-2-methylpropan-1-ol
CID 106506240
1-(3-fluoro-4-methoxyphenyl)-4-methoxy-2-methylbutan-2-amine
CID 62620543
1-(3-fluoro-4-methoxyphenyl)-2-methylhex-5-en-2-ol
CID 113437948
2-(3-fluoro-4-methoxyphenyl)-1-(3-fluorophenyl)propan-2-ol
CID 114833315
1-(3-fluoro-4-methoxyphenyl)-3-hydroxy-3-methylbutan-2-one
CID 103446280

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-(3-methylthiophen-2-yl)propan-2-ol?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-(3-methylthiophen-2-yl)propan-2-ol (CID 65149465) is 1-(3-fluoro-4-methoxyphenyl)-2-(3-methylthiophen-2-yl)propan-2-ol.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-2-(3-methylthiophen-2-yl)propan-2-ol?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-2-(3-methylthiophen-2-yl)propan-2-ol is COc1ccc(CC(C)(O)c2sccc2C)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-2-(3-methylthiophen-2-yl)propan-2-ol?
The InChIKey is IJTTYHPEPIRTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FO2S/c1-10-6-7-19-14(10)15(2,17)9-11-4-5-13(18-3)12(16)8-11/h4-8,17H,9H2,1-3H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-2-(3-methylthiophen-2-yl)propan-2-ol?
1-(3-fluoro-4-methoxyphenyl)-2-(3-methylthiophen-2-yl)propan-2-ol has a molecular weight of 280.36 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-2-(3-methylthiophen-2-yl)propan-2-ol is sourced from PubChem (CID 65149465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).