2-[hydroxy-(4-propan-2-yloxyphenyl)methyl]thiophene-3-carboxylic acid

C15H16O4S — CID 107432058

IUPAC2-[hydroxy-(4-propan-2-yloxyphenyl)methyl]thiophene-3-carboxylic acid
SMILESCC(C)Oc1ccc(C(O)c2sccc2C(=O)O)cc1
InChIInChI=1S/C15H16O4S/c1-9(2)19-11-5-3-10(4-6-11)13(16)14-12(15(17)18)7-8-20-14/h3-9,13,16H,1-2H3,(H,17,18)
InChIKeyDNTRXSGUKIFVCQ-UHFFFAOYSA-N
MW292.36 g/mol
LogP3.32
Rot. Bonds5

About 2-[hydroxy-(4-propan-2-yloxyphenyl)methyl]thiophene-3-carboxylic acid

2-[hydroxy-(4-propan-2-yloxyphenyl)methyl]thiophene-3-carboxylic acid (PubChem CID 107432058) has the molecular formula C15H16O4S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-[hydroxy-(4-propan-2-yloxyphenyl)methyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[hydroxy-(4-propan-2-yloxyphenyl)methyl]thiophene-3-carboxylic acid
PubChem CID107432058
Molecular FormulaC15H16O4S
Molecular Weight292.36 g/mol
Exact Mass292.08
IUPAC Name2-[hydroxy-(4-propan-2-yloxyphenyl)methyl]thiophene-3-carboxylic acid
SMILESCC(C)Oc1ccc(C(O)c2sccc2C(=O)O)cc1
InChIInChI=1S/C15H16O4S/c1-9(2)19-11-5-3-10(4-6-11)13(16)14-12(15(17)18)7-8-20-14/h3-9,13,16H,1-2H3,(H,17,18)
InChIKeyDNTRXSGUKIFVCQ-UHFFFAOYSA-N
XLogP3.32
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,5-dimethylphenyl)-hydroxymethyl]thiophene-3-carboxylic acid
CID 107432220
(3-methoxythiophen-2-yl)-(3-propan-2-yloxyphenyl)methanol
CID 115824055
2-(1-amino-2-methylpropyl)thiophene-3-carboxylic acid
CID 154602976
2-[(3-chloro-5-fluorophenyl)-hydroxymethyl]thiophene-3-carboxylic acid
CID 107432637
2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]thiophene-3-carboxylic acid
CID 107432176
2-[(3-cyclopropylphenyl)-hydroxymethyl]thiophene-3-carboxylic acid
CID 107432406
(3-bromothiophen-2-yl)-(4-propan-2-yloxyphenyl)methanamine
CID 63797040
N-methyl-1-(3-methylthiophen-2-yl)-1-(4-propan-2-yloxyphenyl)methanamine
CID 43485510
2-(4-propan-2-yloxyphenoxy)terephthalic acid
CID 19865536
(5S)-5-hydroxy-5-(4-propan-2-yloxyphenyl)pentanoic acid
CID 28945621
2,2-difluoro-3-hydroxy-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 62397060
N-[(3-ethylthiophen-2-yl)-(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 79972709

Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy-(4-propan-2-yloxyphenyl)methyl]thiophene-3-carboxylic acid?
The IUPAC name of 2-[hydroxy-(4-propan-2-yloxyphenyl)methyl]thiophene-3-carboxylic acid (CID 107432058) is 2-[hydroxy-(4-propan-2-yloxyphenyl)methyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[hydroxy-(4-propan-2-yloxyphenyl)methyl]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[hydroxy-(4-propan-2-yloxyphenyl)methyl]thiophene-3-carboxylic acid is CC(C)Oc1ccc(C(O)c2sccc2C(=O)O)cc1.
What is the InChIKey of 2-[hydroxy-(4-propan-2-yloxyphenyl)methyl]thiophene-3-carboxylic acid?
The InChIKey is DNTRXSGUKIFVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4S/c1-9(2)19-11-5-3-10(4-6-11)13(16)14-12(15(17)18)7-8-20-14/h3-9,13,16H,1-2H3,(H,17,18).
What are the key properties of 2-[hydroxy-(4-propan-2-yloxyphenyl)methyl]thiophene-3-carboxylic acid?
2-[hydroxy-(4-propan-2-yloxyphenyl)methyl]thiophene-3-carboxylic acid has a molecular weight of 292.36 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy-(4-propan-2-yloxyphenyl)methyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 107432058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).