2-[[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-yl]oxy]-2-(2-methoxyphenyl)acetic acid

C16H20O5 — CID 175726239

IUPAC2-[[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-yl]oxy]-2-(2-methoxyphenyl)acetic acid
SMILESCOc1ccccc1C(OC1C[C@H]2COC[C@@H]2C1)C(=O)O
InChIInChI=1S/C16H20O5/c1-19-14-5-3-2-4-13(14)15(16(17)18)21-12-6-10-8-20-9-11(10)7-12/h2-5,10-12,15H,6-9H2,1H3,(H,17,18)/t10-,11-,15?/m0/s1
InChIKeyNXJIIOGTEZBIPX-AKABHXMESA-N
MW292.33 g/mol
LogP2.26
Rot. Bonds5

About 2-[[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-yl]oxy]-2-(2-methoxyphenyl)acetic acid

2-[[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-yl]oxy]-2-(2-methoxyphenyl)acetic acid (PubChem CID 175726239) has the molecular formula C16H20O5 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-[[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-yl]oxy]-2-(2-methoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-[[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-yl]oxy]-2-(2-methoxyphenyl)acetic acid
PubChem CID175726239
Molecular FormulaC16H20O5
Molecular Weight292.33 g/mol
Exact Mass292.13
IUPAC Name2-[[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-yl]oxy]-2-(2-methoxyphenyl)acetic acid
SMILESCOc1ccccc1C(OC1C[C@H]2COC[C@@H]2C1)C(=O)O
InChIInChI=1S/C16H20O5/c1-19-14-5-3-2-4-13(14)15(16(17)18)21-12-6-10-8-20-9-11(10)7-12/h2-5,10-12,15H,6-9H2,1H3,(H,17,18)/t10-,11-,15?/m0/s1
InChIKeyNXJIIOGTEZBIPX-AKABHXMESA-N
XLogP2.26
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-yl]oxy]-2-(2-methoxyphenyl)acetic acid with MolForge

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Related Compounds

2-(2-methoxyphenyl)-2-(oxan-4-yloxy)acetic acid
CID 142421148
2-(2,6-dimethylmorpholin-4-yl)-2-(2-methoxyphenyl)acetic acid
CID 84746481
(2R)-2-bromo-2-(2-methoxyphenyl)acetic acid
CID 129386979
N-[2-(2-methoxyphenyl)-2-(oxetan-3-yloxy)ethyl]propan-2-amine
CID 102607723
N-[2-(2-methoxyphenyl)-2-(oxetan-3-yloxy)ethyl]-2-methylpropan-2-amine
CID 102607756
2-(2,3-dimethoxyphenyl)-2-methoxyacetic acid
CID 83224228
ethyl 2-hydroxy-2-[3-methoxy-2-(oxetan-3-yloxy)phenyl]acetate
CID 117453495
4-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethoxy]-4-oxobutanoic acid
CID 145363038
methyl 2-[2-(2-methoxyphenyl)propyl]cyclopropane-1-carboxylate
CID 83929095
methyl 2-aminooxy-2-(2-methoxyphenyl)acetate
CID 105464749
N-[(R)-(2-methoxyphenyl)-phenylmethyl]oxane-4-carboxamide
CID 95616816
2-(2-methoxyphenyl)-3-morpholin-4-ylpropanoic acid
CID 82091723

Frequently Asked Questions

What is the IUPAC name of 2-[[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-yl]oxy]-2-(2-methoxyphenyl)acetic acid?
The IUPAC name of 2-[[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-yl]oxy]-2-(2-methoxyphenyl)acetic acid (CID 175726239) is 2-[[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-yl]oxy]-2-(2-methoxyphenyl)acetic acid.
What is the SMILES notation for 2-[[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-yl]oxy]-2-(2-methoxyphenyl)acetic acid?
The canonical SMILES for 2-[[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-yl]oxy]-2-(2-methoxyphenyl)acetic acid is COc1ccccc1C(OC1C[C@H]2COC[C@@H]2C1)C(=O)O.
What is the InChIKey of 2-[[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-yl]oxy]-2-(2-methoxyphenyl)acetic acid?
The InChIKey is NXJIIOGTEZBIPX-AKABHXMESA-N. The full InChI is InChI=1S/C16H20O5/c1-19-14-5-3-2-4-13(14)15(16(17)18)21-12-6-10-8-20-9-11(10)7-12/h2-5,10-12,15H,6-9H2,1H3,(H,17,18)/t10-,11-,15?/m0/s1.
What are the key properties of 2-[[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-yl]oxy]-2-(2-methoxyphenyl)acetic acid?
2-[[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-yl]oxy]-2-(2-methoxyphenyl)acetic acid has a molecular weight of 292.33 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-yl]oxy]-2-(2-methoxyphenyl)acetic acid is sourced from PubChem (CID 175726239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).