2-(6,7-dihydro-5H-furo[3,2-g]chromen-3-yl)acetic acid

C13H12O4 — CID 172805851

IUPAC2-(6,7-dihydro-5H-furo[3,2-g]chromen-3-yl)acetic acid
SMILESO=C(O)Cc1coc2cc3c(cc12)CCCO3
InChIInChI=1S/C13H12O4/c14-13(15)5-9-7-17-12-6-11-8(4-10(9)12)2-1-3-16-11/h4,6-7H,1-3,5H2,(H,14,15)
InChIKeyRMPZSRCIQKBJAY-UHFFFAOYSA-N
MW232.23 g/mol
LogP2.38
Rot. Bonds2

About 2-(6,7-dihydro-5H-furo[3,2-g]chromen-3-yl)acetic acid

2-(6,7-dihydro-5H-furo[3,2-g]chromen-3-yl)acetic acid (PubChem CID 172805851) has the molecular formula C13H12O4 and a molecular weight of 232.23 g/mol. Its IUPAC name is 2-(6,7-dihydro-5H-furo[3,2-g]chromen-3-yl)acetic acid.

Molecular Properties

Compound Name2-(6,7-dihydro-5H-furo[3,2-g]chromen-3-yl)acetic acid
PubChem CID172805851
Molecular FormulaC13H12O4
Molecular Weight232.23 g/mol
Exact Mass232.07
IUPAC Name2-(6,7-dihydro-5H-furo[3,2-g]chromen-3-yl)acetic acid
SMILESO=C(O)Cc1coc2cc3c(cc12)CCCO3
InChIInChI=1S/C13H12O4/c14-13(15)5-9-7-17-12-6-11-8(4-10(9)12)2-1-3-16-11/h4,6-7H,1-3,5H2,(H,14,15)
InChIKeyRMPZSRCIQKBJAY-UHFFFAOYSA-N
XLogP2.38
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(6,7-dihydro-5H-furo[3,2-g]chromen-3-yl)ethanone
CID 174727608
1-[4-[2-(aminomethyl)phenyl]piperazin-1-yl]-2-(6,7-dihydro-5H-furo[3,2-g]chromen-3-yl)ethanone
CID 174727611
1-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]-2-(6,7-dihydro-5H-furo[3,2-g]chromen-3-yl)ethanone
CID 174727624
2-[2-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-4-yl]acetic acid
CID 98019181
N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide
CID 8897998
2-(6-methyl-2,3-dihydro-1-benzofuran-5-yl)acetic acid
CID 19098396
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-ethylacetamide
CID 26072038
(2R)-2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]propanoic acid
CID 119244207
N-tert-butyl-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide
CID 9451645
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)ethanone
CID 136512937
N-(1,3-benzodioxol-5-yl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide
CID 2641720
2-(5,6-dihydrofuro[3,2-f][1]benzofuran-3-yl)-N-formylpentanamide
CID 166651216

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-5H-furo[3,2-g]chromen-3-yl)acetic acid?
The IUPAC name of 2-(6,7-dihydro-5H-furo[3,2-g]chromen-3-yl)acetic acid (CID 172805851) is 2-(6,7-dihydro-5H-furo[3,2-g]chromen-3-yl)acetic acid.
What is the SMILES notation for 2-(6,7-dihydro-5H-furo[3,2-g]chromen-3-yl)acetic acid?
The canonical SMILES for 2-(6,7-dihydro-5H-furo[3,2-g]chromen-3-yl)acetic acid is O=C(O)Cc1coc2cc3c(cc12)CCCO3.
What is the InChIKey of 2-(6,7-dihydro-5H-furo[3,2-g]chromen-3-yl)acetic acid?
The InChIKey is RMPZSRCIQKBJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O4/c14-13(15)5-9-7-17-12-6-11-8(4-10(9)12)2-1-3-16-11/h4,6-7H,1-3,5H2,(H,14,15).
What are the key properties of 2-(6,7-dihydro-5H-furo[3,2-g]chromen-3-yl)acetic acid?
2-(6,7-dihydro-5H-furo[3,2-g]chromen-3-yl)acetic acid has a molecular weight of 232.23 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-5H-furo[3,2-g]chromen-3-yl)acetic acid is sourced from PubChem (CID 172805851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).