2-(4-hydroxy-2,5-dimethyl-5,6-dihydrocyclopenta[b]furan-4-yl)acetic acid

C11H14O4 — CID 112716453

IUPAC2-(4-hydroxy-2,5-dimethyl-5,6-dihydrocyclopenta[b]furan-4-yl)acetic acid
SMILESCc1cc2c(o1)CC(C)C2(O)CC(=O)O
InChIInChI=1S/C11H14O4/c1-6-3-9-8(4-7(2)15-9)11(6,14)5-10(12)13/h4,6,14H,3,5H2,1-2H3,(H,12,13)
InChIKeyYBPJPPRYBLTUOX-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.44
Rot. Bonds2

About 2-(4-hydroxy-2,5-dimethyl-5,6-dihydrocyclopenta[b]furan-4-yl)acetic acid

2-(4-hydroxy-2,5-dimethyl-5,6-dihydrocyclopenta[b]furan-4-yl)acetic acid (PubChem CID 112716453) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-(4-hydroxy-2,5-dimethyl-5,6-dihydrocyclopenta[b]furan-4-yl)acetic acid.

Molecular Properties

Compound Name2-(4-hydroxy-2,5-dimethyl-5,6-dihydrocyclopenta[b]furan-4-yl)acetic acid
PubChem CID112716453
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name2-(4-hydroxy-2,5-dimethyl-5,6-dihydrocyclopenta[b]furan-4-yl)acetic acid
SMILESCc1cc2c(o1)CC(C)C2(O)CC(=O)O
InChIInChI=1S/C11H14O4/c1-6-3-9-8(4-7(2)15-9)11(6,14)5-10(12)13/h4,6,14H,3,5H2,1-2H3,(H,12,13)
InChIKeyYBPJPPRYBLTUOX-UHFFFAOYSA-N
XLogP1.44
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4-hydroxy-2,5-dimethyl-5,6-dihydrocyclopenta[b]furan-4-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-hydroxy-5-methyl-5,6-dihydrocyclopenta[b]furan-4-yl)acetic acid
CID 112715471
2-(7-hydroxy-6-methyl-5,6-dihydrocyclopenta[c]pyridin-7-yl)acetic acid
CID 112715993
2-(4-hydroxy-2,5-dimethyl-5,6-dihydrocyclopenta[c]pyrazol-4-yl)acetic acid
CID 112716467
2-(6-hydroxy-5-methyl-4,5-dihydrocyclopenta[b]furan-6-yl)acetic acid
CID 112715469
6-(aminomethyl)-2,5-dimethyl-4,5-dihydrocyclopenta[b]furan-6-ol
CID 112714723
6-hydroxy-2,5-dimethyl-4,5-dihydrocyclopenta[b]furan-6-carboxylic acid
CID 112715473
2,4-dimethyl-6-propan-2-yl-6,7-dihydro-5H-1-benzofuran-4-ol;2-methylpropane
CID 155577682
2-[(3R)-6-fluoro-1-hydroxy-3-methyl-3,4-dihydroisochromen-1-yl]acetic acid
CID 174262481
2-(2-methyl-4,5,6,7-tetrahydrofuro[2,3-c]pyridin-4-yl)acetic acid
CID 83484569
2-[(3R)-6-chloro-1-hydroxy-3-methyl-7-nitro-3,4-dihydroisochromen-1-yl]acetic acid
CID 174259013
2-(2-chloro-1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalen-1-yl)acetic acid
CID 143390413
2-[1-(5-methylfuran-2-yl)cyclopropyl]acetic acid
CID 83683572

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-2,5-dimethyl-5,6-dihydrocyclopenta[b]furan-4-yl)acetic acid?
The IUPAC name of 2-(4-hydroxy-2,5-dimethyl-5,6-dihydrocyclopenta[b]furan-4-yl)acetic acid (CID 112716453) is 2-(4-hydroxy-2,5-dimethyl-5,6-dihydrocyclopenta[b]furan-4-yl)acetic acid.
What is the SMILES notation for 2-(4-hydroxy-2,5-dimethyl-5,6-dihydrocyclopenta[b]furan-4-yl)acetic acid?
The canonical SMILES for 2-(4-hydroxy-2,5-dimethyl-5,6-dihydrocyclopenta[b]furan-4-yl)acetic acid is Cc1cc2c(o1)CC(C)C2(O)CC(=O)O.
What is the InChIKey of 2-(4-hydroxy-2,5-dimethyl-5,6-dihydrocyclopenta[b]furan-4-yl)acetic acid?
The InChIKey is YBPJPPRYBLTUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-6-3-9-8(4-7(2)15-9)11(6,14)5-10(12)13/h4,6,14H,3,5H2,1-2H3,(H,12,13).
What are the key properties of 2-(4-hydroxy-2,5-dimethyl-5,6-dihydrocyclopenta[b]furan-4-yl)acetic acid?
2-(4-hydroxy-2,5-dimethyl-5,6-dihydrocyclopenta[b]furan-4-yl)acetic acid has a molecular weight of 210.23 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-2,5-dimethyl-5,6-dihydrocyclopenta[b]furan-4-yl)acetic acid is sourced from PubChem (CID 112716453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).