(4-hydroxyphenyl) 2-[(1R,5R)-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]acetate

C18H20O4 — CID 70688376

IUPAC(4-hydroxyphenyl) 2-[(1R,5R)-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]acetate
SMILESCC/C=C\C[C@H]1C(=O)C=C[C@H]1CC(=O)Oc1ccc(O)cc1
InChIInChI=1S/C18H20O4/c1-2-3-4-5-16-13(6-11-17(16)20)12-18(21)22-15-9-7-14(19)8-10-15/h3-4,6-11,13,16,19H,2,5,12H2,1H3/b4-3-/t13-,16+/m0/s1
InChIKeyDXCOZXPDCJJMBX-FEIQTHJPSA-N
MW300.35 g/mol
LogP3.42
Rot. Bonds6

About (4-hydroxyphenyl) 2-[(1R,5R)-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]acetate

(4-hydroxyphenyl) 2-[(1R,5R)-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]acetate (PubChem CID 70688376) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is (4-hydroxyphenyl) 2-[(1R,5R)-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]acetate.

Molecular Properties

Compound Name(4-hydroxyphenyl) 2-[(1R,5R)-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]acetate
PubChem CID70688376
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name(4-hydroxyphenyl) 2-[(1R,5R)-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]acetate
SMILESCC/C=C\C[C@H]1C(=O)C=C[C@H]1CC(=O)Oc1ccc(O)cc1
InChIInChI=1S/C18H20O4/c1-2-3-4-5-16-13(6-11-17(16)20)12-18(21)22-15-9-7-14(19)8-10-15/h3-4,6-11,13,16,19H,2,5,12H2,1H3/b4-3-/t13-,16+/m0/s1
InChIKeyDXCOZXPDCJJMBX-FEIQTHJPSA-N
XLogP3.42
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4-hydroxyphenyl) 2-[(1R,5R)-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]acetate with MolForge

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Launch Full Analysis

Related Compounds

butyl 2-[(1R,5R)-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]acetate
CID 70686255
tert-butyl 2-[(1R,5R)-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]acetate
CID 70690394
8-[4-oxo-5-[(E)-pent-2-enyl]cyclopent-2-en-1-yl]octanoate
CID 157010136
methyl (Z)-7-[2-[(Z)-oct-2-enyl]-5-oxocyclopent-3-en-1-yl]hept-5-enoate
CID 23426010
(Z)-7-[(1R,5S)-2-oxo-5-(phenoxymethyl)cyclopent-3-en-1-yl]hept-5-enoic acid
CID 11631047
2-hydroxyethyl 2-[3-chloro-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]acetate
CID 91884633
bis(4-hydroxyphenyl) hexanedioate
CID 66769037
methyl 7-[(1R,2R)-2-(5,5-difluoro-4-oxooctyl)-5-oxocyclopent-3-en-1-yl]hept-5-enoate
CID 57029698
methyl 2-[(1S)-3-oxo-2-pent-2-enylcyclopentyl]acetate
CID 91500588
(4-formylphenyl) octanoate;4-hydroxybenzaldehyde
CID 161257704
4-hex-3-enoyloxybenzenesulfonic acid
CID 56625450
(Z)-7-[(1R,2S)-2-[(1E,3R,5Z)-3-hydroxyocta-1,5-dienyl]-5-oxocyclopent-3-en-1-yl]hept-5-enoic acid
CID 35021035

Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl) 2-[(1R,5R)-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]acetate?
The IUPAC name of (4-hydroxyphenyl) 2-[(1R,5R)-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]acetate (CID 70688376) is (4-hydroxyphenyl) 2-[(1R,5R)-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]acetate.
What is the SMILES notation for (4-hydroxyphenyl) 2-[(1R,5R)-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]acetate?
The canonical SMILES for (4-hydroxyphenyl) 2-[(1R,5R)-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]acetate is CC/C=C\C[C@H]1C(=O)C=C[C@H]1CC(=O)Oc1ccc(O)cc1.
What is the InChIKey of (4-hydroxyphenyl) 2-[(1R,5R)-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]acetate?
The InChIKey is DXCOZXPDCJJMBX-FEIQTHJPSA-N. The full InChI is InChI=1S/C18H20O4/c1-2-3-4-5-16-13(6-11-17(16)20)12-18(21)22-15-9-7-14(19)8-10-15/h3-4,6-11,13,16,19H,2,5,12H2,1H3/b4-3-/t13-,16+/m0/s1.
What are the key properties of (4-hydroxyphenyl) 2-[(1R,5R)-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]acetate?
(4-hydroxyphenyl) 2-[(1R,5R)-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]acetate has a molecular weight of 300.35 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl) 2-[(1R,5R)-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]acetate is sourced from PubChem (CID 70688376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).