5-[[(1S,2R)-3-oxo-2-[2-(3-propan-2-ylphenyl)ethyl]cyclopentyl]methoxymethyl]furan-2-carboxylic acid

C23H28O5 — CID 71130878

IUPAC5-[[(1S,2R)-3-oxo-2-[2-(3-propan-2-ylphenyl)ethyl]cyclopentyl]methoxymethyl]furan-2-carboxylic acid
SMILESCC(C)c1cccc(CC[C@H]2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)o2)c1
InChIInChI=1S/C23H28O5/c1-15(2)17-5-3-4-16(12-17)6-9-20-18(7-10-21(20)24)13-27-14-19-8-11-22(28-19)23(25)26/h3-5,8,11-12,15,18,20H,6-7,9-10,13-14H2,1-2H3,(H,25,26)/t18-,20-/m1/s1
InChIKeyDHDKXDIYSRSKDY-UYAOXDASSA-N
MW384.47 g/mol
LogP4.85
Rot. Bonds9

About 5-[[(1S,2R)-3-oxo-2-[2-(3-propan-2-ylphenyl)ethyl]cyclopentyl]methoxymethyl]furan-2-carboxylic acid

5-[[(1S,2R)-3-oxo-2-[2-(3-propan-2-ylphenyl)ethyl]cyclopentyl]methoxymethyl]furan-2-carboxylic acid (PubChem CID 71130878) has the molecular formula C23H28O5 and a molecular weight of 384.47 g/mol. Its IUPAC name is 5-[[(1S,2R)-3-oxo-2-[2-(3-propan-2-ylphenyl)ethyl]cyclopentyl]methoxymethyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(1S,2R)-3-oxo-2-[2-(3-propan-2-ylphenyl)ethyl]cyclopentyl]methoxymethyl]furan-2-carboxylic acid
PubChem CID71130878
Molecular FormulaC23H28O5
Molecular Weight384.47 g/mol
Exact Mass384.19
IUPAC Name5-[[(1S,2R)-3-oxo-2-[2-(3-propan-2-ylphenyl)ethyl]cyclopentyl]methoxymethyl]furan-2-carboxylic acid
SMILESCC(C)c1cccc(CC[C@H]2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)o2)c1
InChIInChI=1S/C23H28O5/c1-15(2)17-5-3-4-16(12-17)6-9-20-18(7-10-21(20)24)13-27-14-19-8-11-22(28-19)23(25)26/h3-5,8,11-12,15,18,20H,6-7,9-10,13-14H2,1-2H3,(H,25,26)/t18-,20-/m1/s1
InChIKeyDHDKXDIYSRSKDY-UYAOXDASSA-N
XLogP4.85
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.47
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[[(1S,2R)-3-oxo-2-[2-(3-propan-2-ylphenyl)ethyl]cyclopentyl]methoxymethyl]furan-2-carboxylic acid with MolForge

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Related Compounds

5-(3-methylbutoxymethyl)furan-2-carboxylic acid
CID 4739201
5-[(3-propan-2-ylphenoxy)methyl]furan-2-carbohydrazide
CID 63577007
5-[1-(3-propan-2-ylphenoxy)ethyl]furan-2-carboxylic acid
CID 20988808
5-[[2-(3-propan-2-ylphenoxy)propanoylamino]methyl]furan-2-carboxylic acid
CID 119246296
5-(ethoxymethyl)furan-2-carboxylic acid
CID 4682007
5-[[(2S)-1-(4-tert-butylphenyl)-5-oxopyrrolidin-2-yl]methoxymethyl]furan-2-carboxylic acid
CID 24821537
2-hydroxyethyl 5-[[(1S,2S)-5-hydroxy-2-[[3-(1-hydroxyethyl)anilino]methyl]-3-oxocyclopentyl]methoxymethyl]furan-2-carboxylate
CID 58358356
5-(tetradecoxymethyl)furan-2-carboxylic acid
CID 22152429
4-(3-propan-2-ylphenyl)butan-2-one
CID 129128469
5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]furan-2-carboxylic acid
CID 112586962
5-(2-carboxypropanoyloxymethyl)furan-2-carboxylic acid
CID 165389443
5-[(2-fluorophenyl)methoxymethyl]furan-2-carboxylic acid
CID 63933619

Frequently Asked Questions

What is the IUPAC name of 5-[[(1S,2R)-3-oxo-2-[2-(3-propan-2-ylphenyl)ethyl]cyclopentyl]methoxymethyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[(1S,2R)-3-oxo-2-[2-(3-propan-2-ylphenyl)ethyl]cyclopentyl]methoxymethyl]furan-2-carboxylic acid (CID 71130878) is 5-[[(1S,2R)-3-oxo-2-[2-(3-propan-2-ylphenyl)ethyl]cyclopentyl]methoxymethyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[(1S,2R)-3-oxo-2-[2-(3-propan-2-ylphenyl)ethyl]cyclopentyl]methoxymethyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[(1S,2R)-3-oxo-2-[2-(3-propan-2-ylphenyl)ethyl]cyclopentyl]methoxymethyl]furan-2-carboxylic acid is CC(C)c1cccc(CC[C@H]2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)o2)c1.
What is the InChIKey of 5-[[(1S,2R)-3-oxo-2-[2-(3-propan-2-ylphenyl)ethyl]cyclopentyl]methoxymethyl]furan-2-carboxylic acid?
The InChIKey is DHDKXDIYSRSKDY-UYAOXDASSA-N. The full InChI is InChI=1S/C23H28O5/c1-15(2)17-5-3-4-16(12-17)6-9-20-18(7-10-21(20)24)13-27-14-19-8-11-22(28-19)23(25)26/h3-5,8,11-12,15,18,20H,6-7,9-10,13-14H2,1-2H3,(H,25,26)/t18-,20-/m1/s1.
What are the key properties of 5-[[(1S,2R)-3-oxo-2-[2-(3-propan-2-ylphenyl)ethyl]cyclopentyl]methoxymethyl]furan-2-carboxylic acid?
5-[[(1S,2R)-3-oxo-2-[2-(3-propan-2-ylphenyl)ethyl]cyclopentyl]methoxymethyl]furan-2-carboxylic acid has a molecular weight of 384.47 g/mol, XLogP of 4.85, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1S,2R)-3-oxo-2-[2-(3-propan-2-ylphenyl)ethyl]cyclopentyl]methoxymethyl]furan-2-carboxylic acid is sourced from PubChem (CID 71130878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).