methyl (3R,5S)-5-methoxy-3-phenylcyclopentene-1-carboxylate

C14H16O3 — CID 134847031

IUPACmethyl (3R,5S)-5-methoxy-3-phenylcyclopentene-1-carboxylate
SMILESCOC(=O)C1=C[C@H](c2ccccc2)C[C@@H]1OC
InChIInChI=1S/C14H16O3/c1-16-13-9-11(8-12(13)14(15)17-2)10-6-4-3-5-7-10/h3-8,11,13H,9H2,1-2H3/t11-,13-/m0/s1
InChIKeyCEAIQYSKZSEQQZ-AAEUAGOBSA-N
MW232.28 g/mol
LogP2.29
Rot. Bonds3

About methyl (3R,5S)-5-methoxy-3-phenylcyclopentene-1-carboxylate

methyl (3R,5S)-5-methoxy-3-phenylcyclopentene-1-carboxylate (PubChem CID 134847031) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is methyl (3R,5S)-5-methoxy-3-phenylcyclopentene-1-carboxylate.

Molecular Properties

Compound Namemethyl (3R,5S)-5-methoxy-3-phenylcyclopentene-1-carboxylate
PubChem CID134847031
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Namemethyl (3R,5S)-5-methoxy-3-phenylcyclopentene-1-carboxylate
SMILESCOC(=O)C1=C[C@H](c2ccccc2)C[C@@H]1OC
InChIInChI=1S/C14H16O3/c1-16-13-9-11(8-12(13)14(15)17-2)10-6-4-3-5-7-10/h3-8,11,13H,9H2,1-2H3/t11-,13-/m0/s1
InChIKeyCEAIQYSKZSEQQZ-AAEUAGOBSA-N
XLogP2.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,3R)-5-methoxycarbonyl-3-phenylcyclohept-4-ene-1-carboxylic acid
CID 10588376
methyl (5S)-5-phenylcyclopentene-1-carboxylate
CID 11401436
methyl (2R,4S)-4-(4-methylphenyl)-2-phenyl-3,4-dihydro-2H-pyran-6-carboxylate
CID 102435709
methyl 4-phenyl-2-[tri(propan-2-yl)silylmethyl]-3,4-dihydro-2H-pyran-6-carboxylate
CID 71714778
dimethyl (2R,5R)-2,5-diphenyl-2,5-dihydro-1H-pyrrole-3,4-dicarboxylate
CID 101203349
methyl (2S,5S)-2-methyl-5-phenyl-2,5-dihydrofuran-3-carboxylate
CID 10560758
methyl (2S,4S)-2-naphthalen-2-yl-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate
CID 10759883
methyl 2,2-dimethyl-3-phenyl-3H-furan-4-carboxylate
CID 142911838
methyl (1R,4S)-4-methoxy-1,8-diphenylspiro[4.5]dec-2-ene-3-carboxylate
CID 166439737
methyl 2-(2-phenylcyclopropyl)benzoate
CID 54447263
methyl (1S,8S)-1-phenyl-5,6,7,8-tetrahydro-1H-pyrrolizine-3-carboxylate
CID 138982136
trans-methyl (1S,2S)-2-phenylcyclopropane-1-carboxylate
CID 642984

Frequently Asked Questions

What is the IUPAC name of methyl (3R,5S)-5-methoxy-3-phenylcyclopentene-1-carboxylate?
The IUPAC name of methyl (3R,5S)-5-methoxy-3-phenylcyclopentene-1-carboxylate (CID 134847031) is methyl (3R,5S)-5-methoxy-3-phenylcyclopentene-1-carboxylate.
What is the SMILES notation for methyl (3R,5S)-5-methoxy-3-phenylcyclopentene-1-carboxylate?
The canonical SMILES for methyl (3R,5S)-5-methoxy-3-phenylcyclopentene-1-carboxylate is COC(=O)C1=C[C@H](c2ccccc2)C[C@@H]1OC.
What is the InChIKey of methyl (3R,5S)-5-methoxy-3-phenylcyclopentene-1-carboxylate?
The InChIKey is CEAIQYSKZSEQQZ-AAEUAGOBSA-N. The full InChI is InChI=1S/C14H16O3/c1-16-13-9-11(8-12(13)14(15)17-2)10-6-4-3-5-7-10/h3-8,11,13H,9H2,1-2H3/t11-,13-/m0/s1.
What are the key properties of methyl (3R,5S)-5-methoxy-3-phenylcyclopentene-1-carboxylate?
methyl (3R,5S)-5-methoxy-3-phenylcyclopentene-1-carboxylate has a molecular weight of 232.28 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R,5S)-5-methoxy-3-phenylcyclopentene-1-carboxylate is sourced from PubChem (CID 134847031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).