ethyl (1S,2S,3S)-3-hydroxy-2-(3-methoxy-2,5-dimethylphenyl)cyclopentane-1-carboxylate

C17H24O4 — CID 132919109

IUPACethyl (1S,2S,3S)-3-hydroxy-2-(3-methoxy-2,5-dimethylphenyl)cyclopentane-1-carboxylate
SMILESCCOC(=O)[C@H]1CC[C@H](O)[C@@H]1c1cc(C)cc(OC)c1C
InChIInChI=1S/C17H24O4/c1-5-21-17(19)12-6-7-14(18)16(12)13-8-10(2)9-15(20-4)11(13)3/h8-9,12,14,16,18H,5-7H2,1-4H3/t12-,14-,16-/m0/s1
InChIKeyOPMUOJRFCZTGQK-NOLJZWGESA-N
MW292.38 g/mol
LogP2.73
Rot. Bonds4

About ethyl (1S,2S,3S)-3-hydroxy-2-(3-methoxy-2,5-dimethylphenyl)cyclopentane-1-carboxylate

ethyl (1S,2S,3S)-3-hydroxy-2-(3-methoxy-2,5-dimethylphenyl)cyclopentane-1-carboxylate (PubChem CID 132919109) has the molecular formula C17H24O4 and a molecular weight of 292.38 g/mol. Its IUPAC name is ethyl (1S,2S,3S)-3-hydroxy-2-(3-methoxy-2,5-dimethylphenyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl (1S,2S,3S)-3-hydroxy-2-(3-methoxy-2,5-dimethylphenyl)cyclopentane-1-carboxylate
PubChem CID132919109
Molecular FormulaC17H24O4
Molecular Weight292.38 g/mol
Exact Mass292.17
IUPAC Nameethyl (1S,2S,3S)-3-hydroxy-2-(3-methoxy-2,5-dimethylphenyl)cyclopentane-1-carboxylate
SMILESCCOC(=O)[C@H]1CC[C@H](O)[C@@H]1c1cc(C)cc(OC)c1C
InChIInChI=1S/C17H24O4/c1-5-21-17(19)12-6-7-14(18)16(12)13-8-10(2)9-15(20-4)11(13)3/h8-9,12,14,16,18H,5-7H2,1-4H3/t12-,14-,16-/m0/s1
InChIKeyOPMUOJRFCZTGQK-NOLJZWGESA-N
XLogP2.73
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (1S,2S)-1-amino-6-methyl-2,3-dihydro-1H-indene-2-carboxylate
CID 178197600
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CID 110764961
ethyl 4-amino-2-hydroxycyclohexane-1-carboxylate
CID 117046513
ethyl 2-amino-3-methoxy-5-methylbenzoate
CID 54595934
trans-ethyl (1R,2R)-2-hydroxycyclohexane-1-carboxylate
CID 1268212
ethyl (2S)-2-hydroxycyclopentane-1-carboxylate
CID 130360742
ethyl 4-(2-methoxyphenyl)-1-methylpyrrolidine-3-carboxylate
CID 134162395
ethyl 4-amino-2-hydroxycyclohexane-1-carboxylate;hydrochloride
CID 117046512
2-ethoxycarbonylcyclobutane-1-carboxylic acid
CID 19889622
cis-ethyl (1R,2S)-2-acetylcyclobutane-1-carboxylate
CID 165354551
1-ethoxy-3-methoxy-2,5-dimethylbenzene
CID 59933516
1,3-dimethoxy-2,5-dimethylbenzene
CID 524839

Frequently Asked Questions

What is the IUPAC name of ethyl (1S,2S,3S)-3-hydroxy-2-(3-methoxy-2,5-dimethylphenyl)cyclopentane-1-carboxylate?
The IUPAC name of ethyl (1S,2S,3S)-3-hydroxy-2-(3-methoxy-2,5-dimethylphenyl)cyclopentane-1-carboxylate (CID 132919109) is ethyl (1S,2S,3S)-3-hydroxy-2-(3-methoxy-2,5-dimethylphenyl)cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl (1S,2S,3S)-3-hydroxy-2-(3-methoxy-2,5-dimethylphenyl)cyclopentane-1-carboxylate?
The canonical SMILES for ethyl (1S,2S,3S)-3-hydroxy-2-(3-methoxy-2,5-dimethylphenyl)cyclopentane-1-carboxylate is CCOC(=O)[C@H]1CC[C@H](O)[C@@H]1c1cc(C)cc(OC)c1C.
What is the InChIKey of ethyl (1S,2S,3S)-3-hydroxy-2-(3-methoxy-2,5-dimethylphenyl)cyclopentane-1-carboxylate?
The InChIKey is OPMUOJRFCZTGQK-NOLJZWGESA-N. The full InChI is InChI=1S/C17H24O4/c1-5-21-17(19)12-6-7-14(18)16(12)13-8-10(2)9-15(20-4)11(13)3/h8-9,12,14,16,18H,5-7H2,1-4H3/t12-,14-,16-/m0/s1.
What are the key properties of ethyl (1S,2S,3S)-3-hydroxy-2-(3-methoxy-2,5-dimethylphenyl)cyclopentane-1-carboxylate?
ethyl (1S,2S,3S)-3-hydroxy-2-(3-methoxy-2,5-dimethylphenyl)cyclopentane-1-carboxylate has a molecular weight of 292.38 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1S,2S,3S)-3-hydroxy-2-(3-methoxy-2,5-dimethylphenyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 132919109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).