2-(1-hydroxy-6-methoxy-2,3-dihydroinden-1-yl)thiophene-3-carboxylic acid

C15H14O4S — CID 107432385

IUPAC2-(1-hydroxy-6-methoxy-2,3-dihydroinden-1-yl)thiophene-3-carboxylic acid
SMILESCOc1ccc2c(c1)C(O)(c1sccc1C(=O)O)CC2
InChIInChI=1S/C15H14O4S/c1-19-10-3-2-9-4-6-15(18,12(9)8-10)13-11(14(16)17)5-7-20-13/h2-3,5,7-8,18H,4,6H2,1H3,(H,16,17)
InChIKeyKQSAQJBWCJQOHM-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.64
Rot. Bonds3

About 2-(1-hydroxy-6-methoxy-2,3-dihydroinden-1-yl)thiophene-3-carboxylic acid

2-(1-hydroxy-6-methoxy-2,3-dihydroinden-1-yl)thiophene-3-carboxylic acid (PubChem CID 107432385) has the molecular formula C15H14O4S and a molecular weight of 290.34 g/mol. Its IUPAC name is 2-(1-hydroxy-6-methoxy-2,3-dihydroinden-1-yl)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-(1-hydroxy-6-methoxy-2,3-dihydroinden-1-yl)thiophene-3-carboxylic acid
PubChem CID107432385
Molecular FormulaC15H14O4S
Molecular Weight290.34 g/mol
Exact Mass290.06
IUPAC Name2-(1-hydroxy-6-methoxy-2,3-dihydroinden-1-yl)thiophene-3-carboxylic acid
SMILESCOc1ccc2c(c1)C(O)(c1sccc1C(=O)O)CC2
InChIInChI=1S/C15H14O4S/c1-19-10-3-2-9-4-6-15(18,12(9)8-10)13-11(14(16)17)5-7-20-13/h2-3,5,7-8,18H,4,6H2,1H3,(H,16,17)
InChIKeyKQSAQJBWCJQOHM-UHFFFAOYSA-N
XLogP2.64
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-hydroxy-2,3-dihydroinden-1-yl)thiophene-3-carboxylic acid
CID 107431968
6-methoxy-1-(3-methoxyphenyl)-2,3-dihydroinden-1-ol
CID 79374921
6-methoxy-1-(4-methylphenyl)-2,3-dihydroinden-1-ol
CID 79373998
1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 70241546
1-(2,5-dichlorophenyl)-6-methoxy-2,3-dihydroinden-1-ol
CID 67059855
6-methoxy-1-(4-propan-2-ylphenyl)-2,3-dihydroinden-1-ol
CID 79371785
1-(3,4-difluorophenyl)-6-methoxy-2,3-dihydroinden-1-ol
CID 79374991
6-methoxy-1-(4-methylpiperazin-1-yl)-2,3-dihydroindene-1-carboxylic acid
CID 79371968
1-ethynyl-6-methoxy-2,3-dihydroinden-1-ol
CID 79374777
1-(3-chlorothiophen-2-yl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
CID 107359302
1-(azepan-1-yl)-6-methoxy-2,3-dihydroindene-1-carboxylic acid
CID 79371967
7-methoxy-1-morpholin-4-yl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 79235750

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-6-methoxy-2,3-dihydroinden-1-yl)thiophene-3-carboxylic acid?
The IUPAC name of 2-(1-hydroxy-6-methoxy-2,3-dihydroinden-1-yl)thiophene-3-carboxylic acid (CID 107432385) is 2-(1-hydroxy-6-methoxy-2,3-dihydroinden-1-yl)thiophene-3-carboxylic acid.
What is the SMILES notation for 2-(1-hydroxy-6-methoxy-2,3-dihydroinden-1-yl)thiophene-3-carboxylic acid?
The canonical SMILES for 2-(1-hydroxy-6-methoxy-2,3-dihydroinden-1-yl)thiophene-3-carboxylic acid is COc1ccc2c(c1)C(O)(c1sccc1C(=O)O)CC2.
What is the InChIKey of 2-(1-hydroxy-6-methoxy-2,3-dihydroinden-1-yl)thiophene-3-carboxylic acid?
The InChIKey is KQSAQJBWCJQOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4S/c1-19-10-3-2-9-4-6-15(18,12(9)8-10)13-11(14(16)17)5-7-20-13/h2-3,5,7-8,18H,4,6H2,1H3,(H,16,17).
What are the key properties of 2-(1-hydroxy-6-methoxy-2,3-dihydroinden-1-yl)thiophene-3-carboxylic acid?
2-(1-hydroxy-6-methoxy-2,3-dihydroinden-1-yl)thiophene-3-carboxylic acid has a molecular weight of 290.34 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-6-methoxy-2,3-dihydroinden-1-yl)thiophene-3-carboxylic acid is sourced from PubChem (CID 107432385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).