(1R,2R,4S)-2-ethyl-4-[(4-methoxyphenyl)methoxy]cyclopentane-1-carboxylic acid

C16H22O4 — CID 125472318

IUPAC(1R,2R,4S)-2-ethyl-4-[(4-methoxyphenyl)methoxy]cyclopentane-1-carboxylic acid
SMILESCC[C@@H]1C[C@H](OCc2ccc(OC)cc2)C[C@H]1C(=O)O
InChIInChI=1S/C16H22O4/c1-3-12-8-14(9-15(12)16(17)18)20-10-11-4-6-13(19-2)7-5-11/h4-7,12,14-15H,3,8-10H2,1-2H3,(H,17,18)/t12-,14+,15-/m1/s1
InChIKeyRFMGFGYLQLCUSB-VHDGCEQUSA-N
MW278.35 g/mol
LogP3.10
Rot. Bonds6

About (1R,2R,4S)-2-ethyl-4-[(4-methoxyphenyl)methoxy]cyclopentane-1-carboxylic acid

(1R,2R,4S)-2-ethyl-4-[(4-methoxyphenyl)methoxy]cyclopentane-1-carboxylic acid (PubChem CID 125472318) has the molecular formula C16H22O4 and a molecular weight of 278.35 g/mol. Its IUPAC name is (1R,2R,4S)-2-ethyl-4-[(4-methoxyphenyl)methoxy]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name(1R,2R,4S)-2-ethyl-4-[(4-methoxyphenyl)methoxy]cyclopentane-1-carboxylic acid
PubChem CID125472318
Molecular FormulaC16H22O4
Molecular Weight278.35 g/mol
Exact Mass278.15
IUPAC Name(1R,2R,4S)-2-ethyl-4-[(4-methoxyphenyl)methoxy]cyclopentane-1-carboxylic acid
SMILESCC[C@@H]1C[C@H](OCc2ccc(OC)cc2)C[C@H]1C(=O)O
InChIInChI=1S/C16H22O4/c1-3-12-8-14(9-15(12)16(17)18)20-10-11-4-6-13(19-2)7-5-11/h4-7,12,14-15H,3,8-10H2,1-2H3,(H,17,18)/t12-,14+,15-/m1/s1
InChIKeyRFMGFGYLQLCUSB-VHDGCEQUSA-N
XLogP3.10
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R,2R,4S)-2-ethyl-4-[(4-methoxyphenyl)methoxy]cyclopentane-1-carboxylic acid with MolForge

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Related Compounds

ethyl 3-[(4-methoxyphenyl)methoxy]cyclobutane-1-carboxylate
CID 118050829
cis-(1R,2S)-2-[(4-methoxyphenyl)methoxycarbonyl]cyclopropane-1-carboxylic acid
CID 166500685
3-[(4-methoxyphenyl)methoxy]cyclobutane-1-carbaldehyde
CID 118050407
(1R,3R,5S)-2-[(4-methoxyphenyl)methoxy]-3,5-bis(phenylmethoxy)cyclohexan-1-ol
CID 146033980
1-[[(1S,2S,3S,4R,5S,6R)-2,5-bis[(4-methoxyphenyl)methoxy]-3,4,6-tris(phenylmethoxy)cyclohexyl]oxymethyl]-4-methoxybenzene
CID 11764294
3-[(4-methoxyphenyl)methoxy]-1-methylazetidine
CID 20517347
(1S,2R,4S,5S)-6-[(4-methoxyphenyl)methoxy]cyclohexane-1,2,3,4,5-pentol
CID 91096427
cis-(1S,2S)-2-[2-(4-methoxyphenyl)ethynyl]cyclopropane-1-carboxylic acid
CID 90673059
(3S,4R)-4-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 46944572
(2S,4R,6S)-4-[(4-methoxyphenyl)methoxy]-6-phenyloxane-2-carbaldehyde
CID 44517861
cis-(1R,3S)-3-[(4-methoxyphenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 106324061
(1R,2R,4R)-4-[(4-methoxyphenyl)methoxy]-2-N,2-N-bis(prop-2-enyl)cyclopentane-1,2-diamine
CID 125479268

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S)-2-ethyl-4-[(4-methoxyphenyl)methoxy]cyclopentane-1-carboxylic acid?
The IUPAC name of (1R,2R,4S)-2-ethyl-4-[(4-methoxyphenyl)methoxy]cyclopentane-1-carboxylic acid (CID 125472318) is (1R,2R,4S)-2-ethyl-4-[(4-methoxyphenyl)methoxy]cyclopentane-1-carboxylic acid.
What is the SMILES notation for (1R,2R,4S)-2-ethyl-4-[(4-methoxyphenyl)methoxy]cyclopentane-1-carboxylic acid?
The canonical SMILES for (1R,2R,4S)-2-ethyl-4-[(4-methoxyphenyl)methoxy]cyclopentane-1-carboxylic acid is CC[C@@H]1C[C@H](OCc2ccc(OC)cc2)C[C@H]1C(=O)O.
What is the InChIKey of (1R,2R,4S)-2-ethyl-4-[(4-methoxyphenyl)methoxy]cyclopentane-1-carboxylic acid?
The InChIKey is RFMGFGYLQLCUSB-VHDGCEQUSA-N. The full InChI is InChI=1S/C16H22O4/c1-3-12-8-14(9-15(12)16(17)18)20-10-11-4-6-13(19-2)7-5-11/h4-7,12,14-15H,3,8-10H2,1-2H3,(H,17,18)/t12-,14+,15-/m1/s1.
What are the key properties of (1R,2R,4S)-2-ethyl-4-[(4-methoxyphenyl)methoxy]cyclopentane-1-carboxylic acid?
(1R,2R,4S)-2-ethyl-4-[(4-methoxyphenyl)methoxy]cyclopentane-1-carboxylic acid has a molecular weight of 278.35 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S)-2-ethyl-4-[(4-methoxyphenyl)methoxy]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 125472318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).