(3,4-difluorophenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanol

C15H12F2OS — CID 105096407

IUPAC(3,4-difluorophenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanol
SMILESOC(c1ccc(F)c(F)c1)C1CSc2ccccc21
InChIInChI=1S/C15H12F2OS/c16-12-6-5-9(7-13(12)17)15(18)11-8-19-14-4-2-1-3-10(11)14/h1-7,11,15,18H,8H2
InChIKeyRDGMKELTCTYFFJ-UHFFFAOYSA-N
MW278.32 g/mol
LogP3.89
Rot. Bonds2

About (3,4-difluorophenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanol

(3,4-difluorophenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanol (PubChem CID 105096407) has the molecular formula C15H12F2OS and a molecular weight of 278.32 g/mol. Its IUPAC name is (3,4-difluorophenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanol.

Molecular Properties

Compound Name(3,4-difluorophenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanol
PubChem CID105096407
Molecular FormulaC15H12F2OS
Molecular Weight278.32 g/mol
Exact Mass278.06
IUPAC Name(3,4-difluorophenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanol
SMILESOC(c1ccc(F)c(F)c1)C1CSc2ccccc21
InChIInChI=1S/C15H12F2OS/c16-12-6-5-9(7-13(12)17)15(18)11-8-19-14-4-2-1-3-10(11)14/h1-7,11,15,18H,8H2
InChIKeyRDGMKELTCTYFFJ-UHFFFAOYSA-N
XLogP3.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydro-1-benzothiophen-3-yl-(4-fluoro-3-methylphenyl)methanol
CID 105094086
(2-chloro-5-fluorophenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanol
CID 105397717
1-(2,3-dihydro-1-benzothiophen-3-yl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 105142911
[(1E)-cycloocten-1-yl]-(2,3-dihydro-1-benzothiophen-3-yl)methanol
CID 106657550
(S)-cyclohexyl-(3,4-difluorophenyl)methanol
CID 93184621
(R)-cyclohexyl-(3,4-difluorophenyl)methanol
CID 93184618
2-(2,4-dichlorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanol
CID 105086826
2,3-dihydro-1-benzothiophen-3-yl-(1-methylpyrazol-3-yl)methanol
CID 103138798
1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(2-fluorophenyl)ethanamine
CID 105090261
(R)-(3,4-difluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol
CID 93183518
1-(2,3-dihydro-1-benzothiophen-3-yl)-N,3-dimethylbut-2-en-1-amine
CID 105163222
(3,4-difluorophenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methanol
CID 103345312

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanol?
The IUPAC name of (3,4-difluorophenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanol (CID 105096407) is (3,4-difluorophenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanol.
What is the SMILES notation for (3,4-difluorophenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanol?
The canonical SMILES for (3,4-difluorophenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanol is OC(c1ccc(F)c(F)c1)C1CSc2ccccc21.
What is the InChIKey of (3,4-difluorophenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanol?
The InChIKey is RDGMKELTCTYFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2OS/c16-12-6-5-9(7-13(12)17)15(18)11-8-19-14-4-2-1-3-10(11)14/h1-7,11,15,18H,8H2.
What are the key properties of (3,4-difluorophenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanol?
(3,4-difluorophenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanol has a molecular weight of 278.32 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanol is sourced from PubChem (CID 105096407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).