6-[5-(methoxymethyl)thiophen-3-yl]-3,4-dihydro-2H-chromene-3-carboxylic acid

C16H16O4S — CID 167796674

IUPAC6-[5-(methoxymethyl)thiophen-3-yl]-3,4-dihydro-2H-chromene-3-carboxylic acid
SMILESCOCc1cc(-c2ccc3c(c2)CC(C(=O)O)CO3)cs1
InChIInChI=1S/C16H16O4S/c1-19-8-14-6-13(9-21-14)10-2-3-15-11(4-10)5-12(7-20-15)16(17)18/h2-4,6,9,12H,5,7-8H2,1H3,(H,17,18)
InChIKeyWTOUDVHWUAXYCC-UHFFFAOYSA-N
MW304.37 g/mol
LogP3.20
Rot. Bonds4

About 6-[5-(methoxymethyl)thiophen-3-yl]-3,4-dihydro-2H-chromene-3-carboxylic acid

6-[5-(methoxymethyl)thiophen-3-yl]-3,4-dihydro-2H-chromene-3-carboxylic acid (PubChem CID 167796674) has the molecular formula C16H16O4S and a molecular weight of 304.37 g/mol. Its IUPAC name is 6-[5-(methoxymethyl)thiophen-3-yl]-3,4-dihydro-2H-chromene-3-carboxylic acid.

Molecular Properties

Compound Name6-[5-(methoxymethyl)thiophen-3-yl]-3,4-dihydro-2H-chromene-3-carboxylic acid
PubChem CID167796674
Molecular FormulaC16H16O4S
Molecular Weight304.37 g/mol
Exact Mass304.08
IUPAC Name6-[5-(methoxymethyl)thiophen-3-yl]-3,4-dihydro-2H-chromene-3-carboxylic acid
SMILESCOCc1cc(-c2ccc3c(c2)CC(C(=O)O)CO3)cs1
InChIInChI=1S/C16H16O4S/c1-19-8-14-6-13(9-21-14)10-2-3-15-11(4-10)5-12(7-20-15)16(17)18/h2-4,6,9,12H,5,7-8H2,1H3,(H,17,18)
InChIKeyWTOUDVHWUAXYCC-UHFFFAOYSA-N
XLogP3.20
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(methoxymethyl)thiophen-3-yl]-3,4-dihydro-2H-chromene-3-carboxylic acid?
The IUPAC name of 6-[5-(methoxymethyl)thiophen-3-yl]-3,4-dihydro-2H-chromene-3-carboxylic acid (CID 167796674) is 6-[5-(methoxymethyl)thiophen-3-yl]-3,4-dihydro-2H-chromene-3-carboxylic acid.
What is the SMILES notation for 6-[5-(methoxymethyl)thiophen-3-yl]-3,4-dihydro-2H-chromene-3-carboxylic acid?
The canonical SMILES for 6-[5-(methoxymethyl)thiophen-3-yl]-3,4-dihydro-2H-chromene-3-carboxylic acid is COCc1cc(-c2ccc3c(c2)CC(C(=O)O)CO3)cs1.
What is the InChIKey of 6-[5-(methoxymethyl)thiophen-3-yl]-3,4-dihydro-2H-chromene-3-carboxylic acid?
The InChIKey is WTOUDVHWUAXYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4S/c1-19-8-14-6-13(9-21-14)10-2-3-15-11(4-10)5-12(7-20-15)16(17)18/h2-4,6,9,12H,5,7-8H2,1H3,(H,17,18).
What are the key properties of 6-[5-(methoxymethyl)thiophen-3-yl]-3,4-dihydro-2H-chromene-3-carboxylic acid?
6-[5-(methoxymethyl)thiophen-3-yl]-3,4-dihydro-2H-chromene-3-carboxylic acid has a molecular weight of 304.37 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(methoxymethyl)thiophen-3-yl]-3,4-dihydro-2H-chromene-3-carboxylic acid is sourced from PubChem (CID 167796674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).