[3-[(2,3-difluorophenyl)methoxy]-1-benzothiophen-2-yl]-phenylmethanone

C22H14F2O2S — CID 11188164

IUPAC[3-[(2,3-difluorophenyl)methoxy]-1-benzothiophen-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1sc2ccccc2c1OCc1cccc(F)c1F
InChIInChI=1S/C22H14F2O2S/c23-17-11-6-9-15(19(17)24)13-26-21-16-10-4-5-12-18(16)27-22(21)20(25)14-7-2-1-3-8-14/h1-12H,13H2
InChIKeyPBLBFOSTLJRXHY-UHFFFAOYSA-N
MW380.42 g/mol
LogP5.99
Rot. Bonds5

About [3-[(2,3-difluorophenyl)methoxy]-1-benzothiophen-2-yl]-phenylmethanone

[3-[(2,3-difluorophenyl)methoxy]-1-benzothiophen-2-yl]-phenylmethanone (PubChem CID 11188164) has the molecular formula C22H14F2O2S and a molecular weight of 380.42 g/mol. Its IUPAC name is [3-[(2,3-difluorophenyl)methoxy]-1-benzothiophen-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-[(2,3-difluorophenyl)methoxy]-1-benzothiophen-2-yl]-phenylmethanone
PubChem CID11188164
Molecular FormulaC22H14F2O2S
Molecular Weight380.42 g/mol
Exact Mass380.07
IUPAC Name[3-[(2,3-difluorophenyl)methoxy]-1-benzothiophen-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1sc2ccccc2c1OCc1cccc(F)c1F
InChIInChI=1S/C22H14F2O2S/c23-17-11-6-9-15(19(17)24)13-26-21-16-10-4-5-12-18(16)27-22(21)20(25)14-7-2-1-3-8-14/h1-12H,13H2
InChIKeyPBLBFOSTLJRXHY-UHFFFAOYSA-N
XLogP5.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.42
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[(2,3-difluorophenyl)methoxy]-1-benzothiophen-2-yl]-phenylmethanone?
The IUPAC name of [3-[(2,3-difluorophenyl)methoxy]-1-benzothiophen-2-yl]-phenylmethanone (CID 11188164) is [3-[(2,3-difluorophenyl)methoxy]-1-benzothiophen-2-yl]-phenylmethanone.
What is the SMILES notation for [3-[(2,3-difluorophenyl)methoxy]-1-benzothiophen-2-yl]-phenylmethanone?
The canonical SMILES for [3-[(2,3-difluorophenyl)methoxy]-1-benzothiophen-2-yl]-phenylmethanone is O=C(c1ccccc1)c1sc2ccccc2c1OCc1cccc(F)c1F.
What is the InChIKey of [3-[(2,3-difluorophenyl)methoxy]-1-benzothiophen-2-yl]-phenylmethanone?
The InChIKey is PBLBFOSTLJRXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F2O2S/c23-17-11-6-9-15(19(17)24)13-26-21-16-10-4-5-12-18(16)27-22(21)20(25)14-7-2-1-3-8-14/h1-12H,13H2.
What are the key properties of [3-[(2,3-difluorophenyl)methoxy]-1-benzothiophen-2-yl]-phenylmethanone?
[3-[(2,3-difluorophenyl)methoxy]-1-benzothiophen-2-yl]-phenylmethanone has a molecular weight of 380.42 g/mol, XLogP of 5.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2,3-difluorophenyl)methoxy]-1-benzothiophen-2-yl]-phenylmethanone is sourced from PubChem (CID 11188164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).