methyl 4-chloro-5-[(1R)-1-hydroxypropyl]thiophene-2-carboxylate

C9H11ClO3S — CID 68599386

IUPACmethyl 4-chloro-5-[(1R)-1-hydroxypropyl]thiophene-2-carboxylate
SMILESCC[C@@H](O)c1sc(C(=O)OC)cc1Cl
InChIInChI=1S/C9H11ClO3S/c1-3-6(11)8-5(10)4-7(14-8)9(12)13-2/h4,6,11H,3H2,1-2H3/t6-/m1/s1
InChIKeyWQNPDJOZZAOOAY-ZCFIWIBFSA-N
MW234.70 g/mol
LogP2.63
Rot. Bonds3

About methyl 4-chloro-5-[(1R)-1-hydroxypropyl]thiophene-2-carboxylate

methyl 4-chloro-5-[(1R)-1-hydroxypropyl]thiophene-2-carboxylate (PubChem CID 68599386) has the molecular formula C9H11ClO3S and a molecular weight of 234.70 g/mol. Its IUPAC name is methyl 4-chloro-5-[(1R)-1-hydroxypropyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-5-[(1R)-1-hydroxypropyl]thiophene-2-carboxylate
PubChem CID68599386
Molecular FormulaC9H11ClO3S
Molecular Weight234.70 g/mol
Exact Mass234.01
IUPAC Namemethyl 4-chloro-5-[(1R)-1-hydroxypropyl]thiophene-2-carboxylate
SMILESCC[C@@H](O)c1sc(C(=O)OC)cc1Cl
InChIInChI=1S/C9H11ClO3S/c1-3-6(11)8-5(10)4-7(14-8)9(12)13-2/h4,6,11H,3H2,1-2H3/t6-/m1/s1
InChIKeyWQNPDJOZZAOOAY-ZCFIWIBFSA-N
XLogP2.63
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.70
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-chloro-5-(2-methylpropyl)thiophene-2-carboxylate
CID 97034573
methyl 5-chloro-4-fluorothiophene-2-carboxylate
CID 121232058
methyl 4-chloro-3-(pentan-3-ylamino)benzoate
CID 43714787
methyl 5-chloro-4-[[(2-chloroacetyl)amino]methyl]thiophene-2-carboxylate
CID 166414711
methyl 4-chloro-3-(3-methylpentan-2-ylamino)benzoate
CID 43714697
methyl 2-tert-butyl-4,5-dichlorobenzoate
CID 59441386
methyl 7-chlorothieno[3,2-b]pyridine-2-carboxylate
CID 59424429
methyl 4-fluoro-5-propylthiophene-2-carboxylate
CID 22134205
methyl 5-[(1R)-1-hydroxypropyl]furan-2-carboxylate
CID 82758761
methyl 5-methyl-4-(sulfanylmethyl)thiophene-2-carboxylate
CID 165473233
4-chloro-5-ethylthiophene-2-carboxylic acid
CID 83877602
dimethyl 5-aminothiophene-2,4-dicarboxylate
CID 19982419

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-5-[(1R)-1-hydroxypropyl]thiophene-2-carboxylate?
The IUPAC name of methyl 4-chloro-5-[(1R)-1-hydroxypropyl]thiophene-2-carboxylate (CID 68599386) is methyl 4-chloro-5-[(1R)-1-hydroxypropyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 4-chloro-5-[(1R)-1-hydroxypropyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 4-chloro-5-[(1R)-1-hydroxypropyl]thiophene-2-carboxylate is CC[C@@H](O)c1sc(C(=O)OC)cc1Cl.
What is the InChIKey of methyl 4-chloro-5-[(1R)-1-hydroxypropyl]thiophene-2-carboxylate?
The InChIKey is WQNPDJOZZAOOAY-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H11ClO3S/c1-3-6(11)8-5(10)4-7(14-8)9(12)13-2/h4,6,11H,3H2,1-2H3/t6-/m1/s1.
What are the key properties of methyl 4-chloro-5-[(1R)-1-hydroxypropyl]thiophene-2-carboxylate?
methyl 4-chloro-5-[(1R)-1-hydroxypropyl]thiophene-2-carboxylate has a molecular weight of 234.70 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-5-[(1R)-1-hydroxypropyl]thiophene-2-carboxylate is sourced from PubChem (CID 68599386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).