(4-phenylmethoxycyclopent-2-en-1-yl) acetate

C14H16O3 — CID 22754072

IUPAC(4-phenylmethoxycyclopent-2-en-1-yl) acetate
SMILESCC(=O)OC1C=CC(OCc2ccccc2)C1
InChIInChI=1S/C14H16O3/c1-11(15)17-14-8-7-13(9-14)16-10-12-5-3-2-4-6-12/h2-8,13-14H,9-10H2,1H3
InChIKeyPXXJSGIWAZRJAN-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.46
Rot. Bonds4

About (4-phenylmethoxycyclopent-2-en-1-yl) acetate

(4-phenylmethoxycyclopent-2-en-1-yl) acetate (PubChem CID 22754072) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is (4-phenylmethoxycyclopent-2-en-1-yl) acetate.

Molecular Properties

Compound Name(4-phenylmethoxycyclopent-2-en-1-yl) acetate
PubChem CID22754072
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name(4-phenylmethoxycyclopent-2-en-1-yl) acetate
SMILESCC(=O)OC1C=CC(OCc2ccccc2)C1
InChIInChI=1S/C14H16O3/c1-11(15)17-14-8-7-13(9-14)16-10-12-5-3-2-4-6-12/h2-8,13-14H,9-10H2,1H3
InChIKeyPXXJSGIWAZRJAN-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
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
methyl (1S,4R)-4-phenylmethoxycyclopent-2-ene-1-carboxylate
CID 155424697
[(1R,4R,5S,6S)-4,5,6-tris(phenylmethoxy)cyclohex-2-en-1-yl] acetate
CID 11396973
[(1S,2R,3R,4S,5R,6S)-3-hydroxy-2,4,5,6-tetrakis(phenylmethoxy)cyclohexyl] acetate
CID 10674783
[(2R,3S,5R,6S)-2,6-dihydroxy-3,4,5-tris(phenylmethoxy)cyclohexyl] acetate
CID 100921480
[(2S,3S,5R,6S)-2,6-dihydroxy-3,4,5-tris(phenylmethoxy)cyclohexyl] acetate
CID 100921481
[(1S,2S,3R,4S,5R,6S)-2,3,5-trihydroxy-4,6-bis(phenylmethoxy)cyclohexyl] acetate
CID 101210421
[(1R,2S,3R,4S,5R,6S)-5-acetyloxy-7,8-dimethyl-3,4-bis(phenylmethoxy)-7,8-diazabicyclo[4.2.2]dec-9-en-2-yl] acetate
CID 15527452
[(1S,2R,3R,4S,5S,6R)-2-acetyloxy-3,4,5,6-tetrakis(phenylmethoxy)cyclohexyl] 2-hydroxyacetate
CID 10952364
[(1R,4Z,6R,7S,8S)-6,7,8-tris(phenylmethoxy)cyclooct-4-en-1-yl] acetate
CID 10844304
[(1R,4R,5S,6R)-4,5-dihydroxy-6-phenylmethoxycyclohex-2-en-1-yl] acetate
CID 10945763
[(2R,3S,4R,5R,6R)-2,6-diacetyloxy-4,5-bis(phenylmethoxy)oxan-3-yl] acetate
CID 11754556

Frequently Asked Questions

What is the IUPAC name of (4-phenylmethoxycyclopent-2-en-1-yl) acetate?
The IUPAC name of (4-phenylmethoxycyclopent-2-en-1-yl) acetate (CID 22754072) is (4-phenylmethoxycyclopent-2-en-1-yl) acetate.
What is the SMILES notation for (4-phenylmethoxycyclopent-2-en-1-yl) acetate?
The canonical SMILES for (4-phenylmethoxycyclopent-2-en-1-yl) acetate is CC(=O)OC1C=CC(OCc2ccccc2)C1.
What is the InChIKey of (4-phenylmethoxycyclopent-2-en-1-yl) acetate?
The InChIKey is PXXJSGIWAZRJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3/c1-11(15)17-14-8-7-13(9-14)16-10-12-5-3-2-4-6-12/h2-8,13-14H,9-10H2,1H3.
What are the key properties of (4-phenylmethoxycyclopent-2-en-1-yl) acetate?
(4-phenylmethoxycyclopent-2-en-1-yl) acetate has a molecular weight of 232.28 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylmethoxycyclopent-2-en-1-yl) acetate is sourced from PubChem (CID 22754072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).