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

C10H12O4 — CID 112715471

IUPAC2-(4-hydroxy-5-methyl-5,6-dihydrocyclopenta[b]furan-4-yl)acetic acid
SMILESCC1Cc2occc2C1(O)CC(=O)O
InChIInChI=1S/C10H12O4/c1-6-4-8-7(2-3-14-8)10(6,13)5-9(11)12/h2-3,6,13H,4-5H2,1H3,(H,11,12)
InChIKeyUYIFXUWSXJVCGK-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.13
Rot. Bonds2

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

2-(4-hydroxy-5-methyl-5,6-dihydrocyclopenta[b]furan-4-yl)acetic acid (PubChem CID 112715471) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is 2-(4-hydroxy-5-methyl-5,6-dihydrocyclopenta[b]furan-4-yl)acetic acid.

Molecular Properties

Compound Name2-(4-hydroxy-5-methyl-5,6-dihydrocyclopenta[b]furan-4-yl)acetic acid
PubChem CID112715471
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name2-(4-hydroxy-5-methyl-5,6-dihydrocyclopenta[b]furan-4-yl)acetic acid
SMILESCC1Cc2occc2C1(O)CC(=O)O
InChIInChI=1S/C10H12O4/c1-6-4-8-7(2-3-14-8)10(6,13)5-9(11)12/h2-3,6,13H,4-5H2,1H3,(H,11,12)
InChIKeyUYIFXUWSXJVCGK-UHFFFAOYSA-N
XLogP1.13
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-hydroxy-5-methyl-4,5-dihydrocyclopenta[b]furan-6-yl)acetic acid
CID 112715469
2-(4-hydroxy-2,5-dimethyl-5,6-dihydrocyclopenta[b]furan-4-yl)acetic acid
CID 112716453
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
4-(2-aminoethyl)-5-methyl-6,7-dihydro-5H-1-benzofuran-4-ol
CID 112715380
2-[4-(cyclopropylamino)-5,6-dihydrocyclopenta[b]furan-4-yl]acetic acid
CID 83838197
2-[(3R)-6-fluoro-1-hydroxy-3-methyl-3,4-dihydroisochromen-1-yl]acetic acid
CID 174262481
methyl 4-amino-5-methyl-6,7-dihydro-5H-1-benzofuran-4-carboxylate
CID 112716289
(1R,8S)-1-methyl-10-oxo-5-oxa-9-azatetracyclo[7.7.0.02,6.011,16]hexadeca-2(6),3,11,13,15-pentaene-8-carboxylic acid
CID 102447698
2-(1-hydroxy-2-methylcyclobutyl)furan-3-carboxylic acid
CID 126981374
2-(4-hydroxy-3,5-dimethylthian-4-yl)acetic acid
CID 83908672
[(1S,2S,3S,5S,6R,8R,9S,10R,11S,12R)-9,10-diacetyloxy-12-hydroxy-2,5,6,12-tetramethyl-7,16-dioxapentacyclo[9.7.0.02,8.06,8.013,17]octadeca-13(17),14-dien-3-yl] acetate
CID 11663180

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-5-methyl-5,6-dihydrocyclopenta[b]furan-4-yl)acetic acid?
The IUPAC name of 2-(4-hydroxy-5-methyl-5,6-dihydrocyclopenta[b]furan-4-yl)acetic acid (CID 112715471) is 2-(4-hydroxy-5-methyl-5,6-dihydrocyclopenta[b]furan-4-yl)acetic acid.
What is the SMILES notation for 2-(4-hydroxy-5-methyl-5,6-dihydrocyclopenta[b]furan-4-yl)acetic acid?
The canonical SMILES for 2-(4-hydroxy-5-methyl-5,6-dihydrocyclopenta[b]furan-4-yl)acetic acid is CC1Cc2occc2C1(O)CC(=O)O.
What is the InChIKey of 2-(4-hydroxy-5-methyl-5,6-dihydrocyclopenta[b]furan-4-yl)acetic acid?
The InChIKey is UYIFXUWSXJVCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c1-6-4-8-7(2-3-14-8)10(6,13)5-9(11)12/h2-3,6,13H,4-5H2,1H3,(H,11,12).
What are the key properties of 2-(4-hydroxy-5-methyl-5,6-dihydrocyclopenta[b]furan-4-yl)acetic acid?
2-(4-hydroxy-5-methyl-5,6-dihydrocyclopenta[b]furan-4-yl)acetic acid has a molecular weight of 196.20 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-5-methyl-5,6-dihydrocyclopenta[b]furan-4-yl)acetic acid is sourced from PubChem (CID 112715471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).