methyl (1S,4R)-4-phenylmethoxycyclopent-2-ene-1-carboxylate

C14H16O3 — CID 155424697

IUPACmethyl (1S,4R)-4-phenylmethoxycyclopent-2-ene-1-carboxylate
SMILESCOC(=O)[C@@H]1C=C[C@H](OCc2ccccc2)C1
InChIInChI=1S/C14H16O3/c1-16-14(15)12-7-8-13(9-12)17-10-11-5-3-2-4-6-11/h2-8,12-13H,9-10H2,1H3/t12-,13+/m1/s1
InChIKeyHVSSOVWLOWJASG-OLZOCXBDSA-N
MW232.28 g/mol
LogP2.32
Rot. Bonds4

About methyl (1S,4R)-4-phenylmethoxycyclopent-2-ene-1-carboxylate

methyl (1S,4R)-4-phenylmethoxycyclopent-2-ene-1-carboxylate (PubChem CID 155424697) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is methyl (1S,4R)-4-phenylmethoxycyclopent-2-ene-1-carboxylate.

Molecular Properties

Compound Namemethyl (1S,4R)-4-phenylmethoxycyclopent-2-ene-1-carboxylate
PubChem CID155424697
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Namemethyl (1S,4R)-4-phenylmethoxycyclopent-2-ene-1-carboxylate
SMILESCOC(=O)[C@@H]1C=C[C@H](OCc2ccccc2)C1
InChIInChI=1S/C14H16O3/c1-16-14(15)12-7-8-13(9-12)17-10-11-5-3-2-4-6-11/h2-8,12-13H,9-10H2,1H3/t12-,13+/m1/s1
InChIKeyHVSSOVWLOWJASG-OLZOCXBDSA-N
XLogP2.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4-phenylmethoxycyclopent-2-en-1-yl)oxymethylbenzene
CID 14593673
(4-phenylmethoxycyclopent-2-en-1-yl) acetate
CID 22754072
trans-dimethyl (4S,5S)-4,5-bis(phenylmethoxy)cyclohexane-1,2-dicarboxylate
CID 11004179
dimethyl (1R,4S,7R,8R)-7,8-bis(phenylmethoxy)bicyclo[2.2.2]octa-2,5-diene-2,3-dicarboxylate
CID 10862991
methyl 4-methyl-5-phenylcyclohex-2-ene-1-carboxylate
CID 58517085
methyl (2R,4R)-6-oxo-4-phenylmethoxyoxane-2-carboxylate
CID 23255946
methyl (5R,6R,7S)-5,7-dimethyl-6-phenylmethoxy-4-oxaspiro[2.4]heptane-2-carboxylate
CID 167710925
2-O-benzyl 1-O-methyl (1R,2R,4R)-4-methoxycyclopentane-1,2-dicarboxylate
CID 153256212
dimethyl (1R,2S,3S)-5-fluoro-3-phenylmethoxycyclohex-4-ene-1,2-dicarboxylate
CID 135017329
methyl (1S,3S,4S)-5-phenylmethoxy-2-azabicyclo[2.2.2]octane-3-carboxylate
CID 139527063
dimethyl (1R,2R,3S)-5-fluoro-3-phenylmethoxycyclohex-4-ene-1,2-dicarboxylate
CID 135017328
methyl 2-[(2S,3R,4S,5S)-5-hydroxy-3,4-bis(phenylmethoxy)thian-2-yl]acetate
CID 102214934

Frequently Asked Questions

What is the IUPAC name of methyl (1S,4R)-4-phenylmethoxycyclopent-2-ene-1-carboxylate?
The IUPAC name of methyl (1S,4R)-4-phenylmethoxycyclopent-2-ene-1-carboxylate (CID 155424697) is methyl (1S,4R)-4-phenylmethoxycyclopent-2-ene-1-carboxylate.
What is the SMILES notation for methyl (1S,4R)-4-phenylmethoxycyclopent-2-ene-1-carboxylate?
The canonical SMILES for methyl (1S,4R)-4-phenylmethoxycyclopent-2-ene-1-carboxylate is COC(=O)[C@@H]1C=C[C@H](OCc2ccccc2)C1.
What is the InChIKey of methyl (1S,4R)-4-phenylmethoxycyclopent-2-ene-1-carboxylate?
The InChIKey is HVSSOVWLOWJASG-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H16O3/c1-16-14(15)12-7-8-13(9-12)17-10-11-5-3-2-4-6-11/h2-8,12-13H,9-10H2,1H3/t12-,13+/m1/s1.
What are the key properties of methyl (1S,4R)-4-phenylmethoxycyclopent-2-ene-1-carboxylate?
methyl (1S,4R)-4-phenylmethoxycyclopent-2-ene-1-carboxylate has a molecular weight of 232.28 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1S,4R)-4-phenylmethoxycyclopent-2-ene-1-carboxylate is sourced from PubChem (CID 155424697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).