1-methyl-4,9-dihydro-3H-indeno[1,2-c]pyran-1-carboxylic acid

C14H14O3 — CID 21495354

IUPAC1-methyl-4,9-dihydro-3H-indeno[1,2-c]pyran-1-carboxylic acid
SMILESCC1(C(=O)O)OCCC2=CC3=CC=CCC3=C21
InChIInChI=1S/C14H14O3/c1-14(13(15)16)12-10(6-7-17-14)8-9-4-2-3-5-11(9)12/h2-4,8H,5-7H2,1H3,(H,15,16)
InChIKeyBCGLWMNPZGSSHZ-UHFFFAOYSA-N
MW230.26 g/mol
LogP2.37
Rot. Bonds1

About 1-methyl-4,9-dihydro-3H-indeno[1,2-c]pyran-1-carboxylic acid

1-methyl-4,9-dihydro-3H-indeno[1,2-c]pyran-1-carboxylic acid (PubChem CID 21495354) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is 1-methyl-4,9-dihydro-3H-indeno[1,2-c]pyran-1-carboxylic acid.

Molecular Properties

Compound Name1-methyl-4,9-dihydro-3H-indeno[1,2-c]pyran-1-carboxylic acid
PubChem CID21495354
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name1-methyl-4,9-dihydro-3H-indeno[1,2-c]pyran-1-carboxylic acid
SMILESCC1(C(=O)O)OCCC2=CC3=CC=CCC3=C21
InChIInChI=1S/C14H14O3/c1-14(13(15)16)12-10(6-7-17-14)8-9-4-2-3-5-11(9)12/h2-4,8H,5-7H2,1H3,(H,15,16)
InChIKeyBCGLWMNPZGSSHZ-UHFFFAOYSA-N
XLogP2.37
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4,9-dihydro-3H-indeno[1,2-c]pyran-1-carboxylic acid?
The IUPAC name of 1-methyl-4,9-dihydro-3H-indeno[1,2-c]pyran-1-carboxylic acid (CID 21495354) is 1-methyl-4,9-dihydro-3H-indeno[1,2-c]pyran-1-carboxylic acid.
What is the SMILES notation for 1-methyl-4,9-dihydro-3H-indeno[1,2-c]pyran-1-carboxylic acid?
The canonical SMILES for 1-methyl-4,9-dihydro-3H-indeno[1,2-c]pyran-1-carboxylic acid is CC1(C(=O)O)OCCC2=CC3=CC=CCC3=C21.
What is the InChIKey of 1-methyl-4,9-dihydro-3H-indeno[1,2-c]pyran-1-carboxylic acid?
The InChIKey is BCGLWMNPZGSSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3/c1-14(13(15)16)12-10(6-7-17-14)8-9-4-2-3-5-11(9)12/h2-4,8H,5-7H2,1H3,(H,15,16).
What are the key properties of 1-methyl-4,9-dihydro-3H-indeno[1,2-c]pyran-1-carboxylic acid?
1-methyl-4,9-dihydro-3H-indeno[1,2-c]pyran-1-carboxylic acid has a molecular weight of 230.26 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4,9-dihydro-3H-indeno[1,2-c]pyran-1-carboxylic acid is sourced from PubChem (CID 21495354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).