methyl 4-(3-chloro-5-hydroxyphenyl)thiophene-2-carboxylate

C12H9ClO3S — CID 53221429

IUPACmethyl 4-(3-chloro-5-hydroxyphenyl)thiophene-2-carboxylate
SMILESCOC(=O)c1cc(-c2cc(O)cc(Cl)c2)cs1
InChIInChI=1S/C12H9ClO3S/c1-16-12(15)11-4-8(6-17-11)7-2-9(13)5-10(14)3-7/h2-6,14H,1H3
InChIKeyHFVVGSZYPRRAHO-UHFFFAOYSA-N
MW268.72 g/mol
LogP3.56
Rot. Bonds2

About methyl 4-(3-chloro-5-hydroxyphenyl)thiophene-2-carboxylate

methyl 4-(3-chloro-5-hydroxyphenyl)thiophene-2-carboxylate (PubChem CID 53221429) has the molecular formula C12H9ClO3S and a molecular weight of 268.72 g/mol. Its IUPAC name is methyl 4-(3-chloro-5-hydroxyphenyl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3-chloro-5-hydroxyphenyl)thiophene-2-carboxylate
PubChem CID53221429
Molecular FormulaC12H9ClO3S
Molecular Weight268.72 g/mol
Exact Mass268.00
IUPAC Namemethyl 4-(3-chloro-5-hydroxyphenyl)thiophene-2-carboxylate
SMILESCOC(=O)c1cc(-c2cc(O)cc(Cl)c2)cs1
InChIInChI=1S/C12H9ClO3S/c1-16-12(15)11-4-8(6-17-11)7-2-9(13)5-10(14)3-7/h2-6,14H,1H3
InChIKeyHFVVGSZYPRRAHO-UHFFFAOYSA-N
XLogP3.56
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.72
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(5-methoxycarbonylthiophen-3-yl)thiophene-2-carboxylate
CID 22305443
methyl 3-(3,5-dichlorophenyl)-5-hydroxybenzoate
CID 146243627
methyl 5,6,7-trichlorocyclopenta[c]thiopyran-3-carboxylate
CID 13162960
methyl 4-(5-chloro-1H-imidazol-4-yl)thiophene-2-carboxylate
CID 167222368
4-(3-carboxy-5-chlorophenyl)thiophene-2-carboxylic acid
CID 53226840
methyl 4-(2-oxo-1H-pyridin-4-yl)thiophene-2-carboxylate
CID 53217994
methyl 4-(3-ethylphenyl)thiophene-2-carboxylate
CID 174626867
methyl 4-(5-fluoropyrimidin-2-yl)thiophene-2-carboxylate
CID 169144684
argon;methyl 4-bromothiophene-2-carboxylate
CID 146371918
(2S)-2-amino-2-[4-(5-methoxycarbonylthiophen-3-yl)phenyl]acetic acid
CID 66513184
[4-(3,5-dichlorophenyl)thiophen-2-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 171618877
5-(5-methoxycarbonylthiophen-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 53223876

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-chloro-5-hydroxyphenyl)thiophene-2-carboxylate?
The IUPAC name of methyl 4-(3-chloro-5-hydroxyphenyl)thiophene-2-carboxylate (CID 53221429) is methyl 4-(3-chloro-5-hydroxyphenyl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 4-(3-chloro-5-hydroxyphenyl)thiophene-2-carboxylate?
The canonical SMILES for methyl 4-(3-chloro-5-hydroxyphenyl)thiophene-2-carboxylate is COC(=O)c1cc(-c2cc(O)cc(Cl)c2)cs1.
What is the InChIKey of methyl 4-(3-chloro-5-hydroxyphenyl)thiophene-2-carboxylate?
The InChIKey is HFVVGSZYPRRAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClO3S/c1-16-12(15)11-4-8(6-17-11)7-2-9(13)5-10(14)3-7/h2-6,14H,1H3.
What are the key properties of methyl 4-(3-chloro-5-hydroxyphenyl)thiophene-2-carboxylate?
methyl 4-(3-chloro-5-hydroxyphenyl)thiophene-2-carboxylate has a molecular weight of 268.72 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-chloro-5-hydroxyphenyl)thiophene-2-carboxylate is sourced from PubChem (CID 53221429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).