[5-[(2S)-1-hydroxypropan-2-yl]thiophen-2-yl]-phenylmethanone

C14H14O2S — CID 151984178

IUPAC[5-[(2S)-1-hydroxypropan-2-yl]thiophen-2-yl]-phenylmethanone
SMILESC[C@@H](CO)c1ccc(C(=O)c2ccccc2)s1
InChIInChI=1S/C14H14O2S/c1-10(9-15)12-7-8-13(17-12)14(16)11-5-3-2-4-6-11/h2-8,10,15H,9H2,1H3/t10-/m0/s1
InChIKeyUDHWRMJZOOESOJ-JTQLQIEISA-N
MW246.33 g/mol
LogP3.07
Rot. Bonds4

About [5-[(2S)-1-hydroxypropan-2-yl]thiophen-2-yl]-phenylmethanone

[5-[(2S)-1-hydroxypropan-2-yl]thiophen-2-yl]-phenylmethanone (PubChem CID 151984178) has the molecular formula C14H14O2S and a molecular weight of 246.33 g/mol. Its IUPAC name is [5-[(2S)-1-hydroxypropan-2-yl]thiophen-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[5-[(2S)-1-hydroxypropan-2-yl]thiophen-2-yl]-phenylmethanone
PubChem CID151984178
Molecular FormulaC14H14O2S
Molecular Weight246.33 g/mol
Exact Mass246.07
IUPAC Name[5-[(2S)-1-hydroxypropan-2-yl]thiophen-2-yl]-phenylmethanone
SMILESC[C@@H](CO)c1ccc(C(=O)c2ccccc2)s1
InChIInChI=1S/C14H14O2S/c1-10(9-15)12-7-8-13(17-12)14(16)11-5-3-2-4-6-11/h2-8,10,15H,9H2,1H3/t10-/m0/s1
InChIKeyUDHWRMJZOOESOJ-JTQLQIEISA-N
XLogP3.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Tiaprofenic Acid
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5-Phenyl-2-Thiophenecarboxylic Acid
CID 736494
Suprofen methyl ester
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4-(5-Benzyl-thiophen-2-yl)-2,4-dioxo-butyric acid
CID 483754
2-(5-Benzoylthiophen-2-yl)acetic acid
CID 3751763
Iodosuprofen
CID 4636051
(S)-Suprofen
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2-[5-(2-Fluorobenzoyl)-2-thienyl]acetic acid
CID 1486757
2-[5-[2-[(4-Methylphenyl)thio]-1-oxoethyl]-2-thiophenyl]acetic acid
CID 2821274
2-(5-Methylthiophene-2-carbonyl)benzoic acid
CID 3803726

Frequently Asked Questions

What is the IUPAC name of [5-[(2S)-1-hydroxypropan-2-yl]thiophen-2-yl]-phenylmethanone?
The IUPAC name of [5-[(2S)-1-hydroxypropan-2-yl]thiophen-2-yl]-phenylmethanone (CID 151984178) is [5-[(2S)-1-hydroxypropan-2-yl]thiophen-2-yl]-phenylmethanone.
What is the SMILES notation for [5-[(2S)-1-hydroxypropan-2-yl]thiophen-2-yl]-phenylmethanone?
The canonical SMILES for [5-[(2S)-1-hydroxypropan-2-yl]thiophen-2-yl]-phenylmethanone is C[C@@H](CO)c1ccc(C(=O)c2ccccc2)s1.
What is the InChIKey of [5-[(2S)-1-hydroxypropan-2-yl]thiophen-2-yl]-phenylmethanone?
The InChIKey is UDHWRMJZOOESOJ-JTQLQIEISA-N. The full InChI is InChI=1S/C14H14O2S/c1-10(9-15)12-7-8-13(17-12)14(16)11-5-3-2-4-6-11/h2-8,10,15H,9H2,1H3/t10-/m0/s1.
What are the key properties of [5-[(2S)-1-hydroxypropan-2-yl]thiophen-2-yl]-phenylmethanone?
[5-[(2S)-1-hydroxypropan-2-yl]thiophen-2-yl]-phenylmethanone has a molecular weight of 246.33 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2S)-1-hydroxypropan-2-yl]thiophen-2-yl]-phenylmethanone is sourced from PubChem (CID 151984178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).