1-(1-benzothiophen-3-yl)-3-(2-chloro-4-fluorophenyl)propan-2-ol

C17H14ClFOS — CID 63738115

IUPAC1-(1-benzothiophen-3-yl)-3-(2-chloro-4-fluorophenyl)propan-2-ol
SMILESOC(Cc1ccc(F)cc1Cl)Cc1csc2ccccc12
InChIInChI=1S/C17H14ClFOS/c18-16-9-13(19)6-5-11(16)7-14(20)8-12-10-21-17-4-2-1-3-15(12)17/h1-6,9-10,14,20H,7-8H2
InChIKeyMPTKAKIZWMUCRK-UHFFFAOYSA-N
MW320.82 g/mol
LogP4.84
Rot. Bonds4

About 1-(1-benzothiophen-3-yl)-3-(2-chloro-4-fluorophenyl)propan-2-ol

1-(1-benzothiophen-3-yl)-3-(2-chloro-4-fluorophenyl)propan-2-ol (PubChem CID 63738115) has the molecular formula C17H14ClFOS and a molecular weight of 320.82 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-3-(2-chloro-4-fluorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-3-(2-chloro-4-fluorophenyl)propan-2-ol
PubChem CID63738115
Molecular FormulaC17H14ClFOS
Molecular Weight320.82 g/mol
Exact Mass320.04
IUPAC Name1-(1-benzothiophen-3-yl)-3-(2-chloro-4-fluorophenyl)propan-2-ol
SMILESOC(Cc1ccc(F)cc1Cl)Cc1csc2ccccc12
InChIInChI=1S/C17H14ClFOS/c18-16-9-13(19)6-5-11(16)7-14(20)8-12-10-21-17-4-2-1-3-15(12)17/h1-6,9-10,14,20H,7-8H2
InChIKeyMPTKAKIZWMUCRK-UHFFFAOYSA-N
XLogP4.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-3-(2-chloro-4-fluorophenyl)propan-2-ol?
The IUPAC name of 1-(1-benzothiophen-3-yl)-3-(2-chloro-4-fluorophenyl)propan-2-ol (CID 63738115) is 1-(1-benzothiophen-3-yl)-3-(2-chloro-4-fluorophenyl)propan-2-ol.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-3-(2-chloro-4-fluorophenyl)propan-2-ol?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-3-(2-chloro-4-fluorophenyl)propan-2-ol is OC(Cc1ccc(F)cc1Cl)Cc1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-3-(2-chloro-4-fluorophenyl)propan-2-ol?
The InChIKey is MPTKAKIZWMUCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFOS/c18-16-9-13(19)6-5-11(16)7-14(20)8-12-10-21-17-4-2-1-3-15(12)17/h1-6,9-10,14,20H,7-8H2.
What are the key properties of 1-(1-benzothiophen-3-yl)-3-(2-chloro-4-fluorophenyl)propan-2-ol?
1-(1-benzothiophen-3-yl)-3-(2-chloro-4-fluorophenyl)propan-2-ol has a molecular weight of 320.82 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-3-(2-chloro-4-fluorophenyl)propan-2-ol is sourced from PubChem (CID 63738115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).