2-[(3-fluorophenyl)methyl]-3-thiophen-3-ylpropan-1-ol

C14H15FOS — CID 66059493

IUPAC2-[(3-fluorophenyl)methyl]-3-thiophen-3-ylpropan-1-ol
SMILESOCC(Cc1ccsc1)Cc1cccc(F)c1
InChIInChI=1S/C14H15FOS/c15-14-3-1-2-11(8-14)6-13(9-16)7-12-4-5-17-10-12/h1-5,8,10,13,16H,6-7,9H2
InChIKeyDMPBWPGAYBWGNJ-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.28
Rot. Bonds5

About 2-[(3-fluorophenyl)methyl]-3-thiophen-3-ylpropan-1-ol

2-[(3-fluorophenyl)methyl]-3-thiophen-3-ylpropan-1-ol (PubChem CID 66059493) has the molecular formula C14H15FOS and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-3-thiophen-3-ylpropan-1-ol.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-3-thiophen-3-ylpropan-1-ol
PubChem CID66059493
Molecular FormulaC14H15FOS
Molecular Weight250.34 g/mol
Exact Mass250.08
IUPAC Name2-[(3-fluorophenyl)methyl]-3-thiophen-3-ylpropan-1-ol
SMILESOCC(Cc1ccsc1)Cc1cccc(F)c1
InChIInChI=1S/C14H15FOS/c15-14-3-1-2-11(8-14)6-13(9-16)7-12-4-5-17-10-12/h1-5,8,10,13,16H,6-7,9H2
InChIKeyDMPBWPGAYBWGNJ-UHFFFAOYSA-N
XLogP3.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-methoxyphenyl)methyl]-3-thiophen-3-ylpropan-1-ol
CID 66060150
N-ethyl-1-(3-fluorophenyl)-3-thiophen-3-ylpropan-2-amine
CID 62602151
1-(3-fluorophenyl)-2-thiophen-3-ylethanol
CID 62607958
2-[(4-fluoro-2-methylphenyl)methyl]-3-(3-fluorophenyl)propan-1-ol
CID 114349827
2-(thiophen-3-ylmethyl)butan-1-ol
CID 21301482
2-[(3-fluorophenyl)methyl]-5,5-dimethylhexan-1-ol
CID 66059277
2-(3-fluorophenyl)-4-thiophen-3-ylbutan-1-ol
CID 79443461
N-ethyl-1-(3-fluorophenyl)-2-thiophen-3-ylethanamine
CID 61078915
1-(3-methylphenyl)-3-thiophen-3-ylpropan-2-ol
CID 62608058
2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3-(3-fluorophenyl)propan-1-ol
CID 66059067
1-(2-benzyl-3-bromopropyl)-3-fluorobenzene
CID 66047635
2-[(3-fluorophenyl)methyl]-4-propylsulfonylbutan-1-ol
CID 106734373

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-3-thiophen-3-ylpropan-1-ol?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-3-thiophen-3-ylpropan-1-ol (CID 66059493) is 2-[(3-fluorophenyl)methyl]-3-thiophen-3-ylpropan-1-ol.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-3-thiophen-3-ylpropan-1-ol?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-3-thiophen-3-ylpropan-1-ol is OCC(Cc1ccsc1)Cc1cccc(F)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-3-thiophen-3-ylpropan-1-ol?
The InChIKey is DMPBWPGAYBWGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FOS/c15-14-3-1-2-11(8-14)6-13(9-16)7-12-4-5-17-10-12/h1-5,8,10,13,16H,6-7,9H2.
What are the key properties of 2-[(3-fluorophenyl)methyl]-3-thiophen-3-ylpropan-1-ol?
2-[(3-fluorophenyl)methyl]-3-thiophen-3-ylpropan-1-ol has a molecular weight of 250.34 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-3-thiophen-3-ylpropan-1-ol is sourced from PubChem (CID 66059493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).