1-benzothiophen-2-yl-(2-chloro-4,5-difluorophenyl)methanol

C15H9ClF2OS — CID 107477095

IUPAC1-benzothiophen-2-yl-(2-chloro-4,5-difluorophenyl)methanol
SMILESOC(c1cc2ccccc2s1)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C15H9ClF2OS/c16-10-7-12(18)11(17)6-9(10)15(19)14-5-8-3-1-2-4-13(8)20-14/h1-7,15,19H
InChIKeyZMYUOWRQMCJMEO-UHFFFAOYSA-N
MW310.75 g/mol
LogP4.91
Rot. Bonds2

About 1-benzothiophen-2-yl-(2-chloro-4,5-difluorophenyl)methanol

1-benzothiophen-2-yl-(2-chloro-4,5-difluorophenyl)methanol (PubChem CID 107477095) has the molecular formula C15H9ClF2OS and a molecular weight of 310.75 g/mol. Its IUPAC name is 1-benzothiophen-2-yl-(2-chloro-4,5-difluorophenyl)methanol.

Molecular Properties

Compound Name1-benzothiophen-2-yl-(2-chloro-4,5-difluorophenyl)methanol
PubChem CID107477095
Molecular FormulaC15H9ClF2OS
Molecular Weight310.75 g/mol
Exact Mass310.00
IUPAC Name1-benzothiophen-2-yl-(2-chloro-4,5-difluorophenyl)methanol
SMILESOC(c1cc2ccccc2s1)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C15H9ClF2OS/c16-10-7-12(18)11(17)6-9(10)15(19)14-5-8-3-1-2-4-13(8)20-14/h1-7,15,19H
InChIKeyZMYUOWRQMCJMEO-UHFFFAOYSA-N
XLogP4.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.75
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-[chloro-(2-chloro-4,5-difluorophenyl)methyl]-1-benzothiophene
CID 107477430
1-benzothiophen-2-yl-(2,4,5-trimethylphenyl)methanol
CID 115807031
2-[chloro-(2-chloro-4,5-difluorophenyl)methyl]-6-fluoro-1-benzothiophene
CID 107477391
(2-chloro-4-fluoro-5-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethanol
CID 81044859
1-benzothiophen-2-yl-(2-chlorophenyl)methanamine
CID 70818866
1-(1-benzothiophen-2-yl)-1-(2-chloro-5-fluorophenyl)-N-methylmethanamine
CID 105396900
1-benzothiophen-2-yl-(2,5-dichlorophenyl)methanamine
CID 61406696
3-(1-benzothiophen-2-yl)butan-2-ol
CID 67935656
1-(1-benzothiophen-2-yl)-2-(3-chloro-4-fluorophenyl)ethanamine
CID 103043364
[1-benzothiophen-2-yl-(2,5-dichlorophenyl)methyl]hydrazine
CID 105302006
(1R)-1-(1-benzothiophen-2-yl)propan-1-ol
CID 171099380
(2-chloro-4,5-difluorophenyl)-(2,3,4-trifluorophenyl)methanol
CID 107476982

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-2-yl-(2-chloro-4,5-difluorophenyl)methanol?
The IUPAC name of 1-benzothiophen-2-yl-(2-chloro-4,5-difluorophenyl)methanol (CID 107477095) is 1-benzothiophen-2-yl-(2-chloro-4,5-difluorophenyl)methanol.
What is the SMILES notation for 1-benzothiophen-2-yl-(2-chloro-4,5-difluorophenyl)methanol?
The canonical SMILES for 1-benzothiophen-2-yl-(2-chloro-4,5-difluorophenyl)methanol is OC(c1cc2ccccc2s1)c1cc(F)c(F)cc1Cl.
What is the InChIKey of 1-benzothiophen-2-yl-(2-chloro-4,5-difluorophenyl)methanol?
The InChIKey is ZMYUOWRQMCJMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF2OS/c16-10-7-12(18)11(17)6-9(10)15(19)14-5-8-3-1-2-4-13(8)20-14/h1-7,15,19H.
What are the key properties of 1-benzothiophen-2-yl-(2-chloro-4,5-difluorophenyl)methanol?
1-benzothiophen-2-yl-(2-chloro-4,5-difluorophenyl)methanol has a molecular weight of 310.75 g/mol, XLogP of 4.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-2-yl-(2-chloro-4,5-difluorophenyl)methanol is sourced from PubChem (CID 107477095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).