[(1R,4R)-4-[(E,1R)-1-hydroxy-3-phenylprop-2-enyl]cyclopent-2-en-1-yl] propan-2-yl carbonate

C18H22O4 — CID 135002057

IUPAC[(1R,4R)-4-[(E,1R)-1-hydroxy-3-phenylprop-2-enyl]cyclopent-2-en-1-yl] propan-2-yl carbonate
SMILESCC(C)OC(=O)O[C@H]1C=C[C@H]([C@H](O)/C=C/c2ccccc2)C1
InChIInChI=1S/C18H22O4/c1-13(2)21-18(20)22-16-10-9-15(12-16)17(19)11-8-14-6-4-3-5-7-14/h3-11,13,15-17,19H,12H2,1-2H3/b11-8+/t15-,16-,17+/m0/s1
InChIKeyYSEUIKRTQKCWPO-CPUCUTALSA-N
MW302.37 g/mol
LogP3.57
Rot. Bonds5

About [(1R,4R)-4-[(E,1R)-1-hydroxy-3-phenylprop-2-enyl]cyclopent-2-en-1-yl] propan-2-yl carbonate

[(1R,4R)-4-[(E,1R)-1-hydroxy-3-phenylprop-2-enyl]cyclopent-2-en-1-yl] propan-2-yl carbonate (PubChem CID 135002057) has the molecular formula C18H22O4 and a molecular weight of 302.37 g/mol. Its IUPAC name is [(1R,4R)-4-[(E,1R)-1-hydroxy-3-phenylprop-2-enyl]cyclopent-2-en-1-yl] propan-2-yl carbonate.

Molecular Properties

Compound Name[(1R,4R)-4-[(E,1R)-1-hydroxy-3-phenylprop-2-enyl]cyclopent-2-en-1-yl] propan-2-yl carbonate
PubChem CID135002057
Molecular FormulaC18H22O4
Molecular Weight302.37 g/mol
Exact Mass302.15
IUPAC Name[(1R,4R)-4-[(E,1R)-1-hydroxy-3-phenylprop-2-enyl]cyclopent-2-en-1-yl] propan-2-yl carbonate
SMILESCC(C)OC(=O)O[C@H]1C=C[C@H]([C@H](O)/C=C/c2ccccc2)C1
InChIInChI=1S/C18H22O4/c1-13(2)21-18(20)22-16-10-9-15(12-16)17(19)11-8-14-6-4-3-5-7-14/h3-11,13,15-17,19H,12H2,1-2H3/b11-8+/t15-,16-,17+/m0/s1
InChIKeyYSEUIKRTQKCWPO-CPUCUTALSA-N
XLogP3.57
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(1R,4R)-4-[(E,1R)-1-hydroxy-3-phenylprop-2-enyl]cyclopent-2-en-1-yl] propan-2-yl carbonate with MolForge

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Related Compounds

[(Z)-4-phenylbut-3-en-2-yl] benzoate
CID 10444919
(E,1R)-1-[(1R)-cyclohex-2-en-1-yl]-3-phenylprop-2-en-1-ol
CID 11413243
(Z,2R)-4-phenylbut-3-en-2-ol
CID 11457765
[(E,2S)-4-phenylbut-3-en-2-yl] N,N-di(propan-2-yl)carbamate
CID 15110199
(E)-2-methoxy-4-phenylbut-3-enoic acid
CID 11217749
2-hydroxy-4-phenyl-N,N-di(propan-2-yl)but-3-enamide
CID 71399566
(E,1S)-1-[(3S)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-3-yl]-3-phenylprop-2-en-1-ol
CID 166441486
(E,1S)-1-(5-methyl-2-propan-2-ylcyclohexyl)-3-phenylprop-2-en-1-ol
CID 101174954
cis-2,4-dimethylpentan-3-yl (1S,2R)-2-[(E)-2-phenylethenyl]cyclopropane-1-carboxylate
CID 10957101
(E,1R)-1-[(2R,3R)-3-methyloxiran-2-yl]-3-phenylprop-2-en-1-ol
CID 10797753
[(E)-3-oxo-5-phenylpent-4-en-2-yl] 2-methylprop-2-enoate
CID 21195052
(4-methyl-1-phenylpent-1-en-3-yl) 2-methylprop-2-enoate
CID 68791034

Frequently Asked Questions

What is the IUPAC name of [(1R,4R)-4-[(E,1R)-1-hydroxy-3-phenylprop-2-enyl]cyclopent-2-en-1-yl] propan-2-yl carbonate?
The IUPAC name of [(1R,4R)-4-[(E,1R)-1-hydroxy-3-phenylprop-2-enyl]cyclopent-2-en-1-yl] propan-2-yl carbonate (CID 135002057) is [(1R,4R)-4-[(E,1R)-1-hydroxy-3-phenylprop-2-enyl]cyclopent-2-en-1-yl] propan-2-yl carbonate.
What is the SMILES notation for [(1R,4R)-4-[(E,1R)-1-hydroxy-3-phenylprop-2-enyl]cyclopent-2-en-1-yl] propan-2-yl carbonate?
The canonical SMILES for [(1R,4R)-4-[(E,1R)-1-hydroxy-3-phenylprop-2-enyl]cyclopent-2-en-1-yl] propan-2-yl carbonate is CC(C)OC(=O)O[C@H]1C=C[C@H]([C@H](O)/C=C/c2ccccc2)C1.
What is the InChIKey of [(1R,4R)-4-[(E,1R)-1-hydroxy-3-phenylprop-2-enyl]cyclopent-2-en-1-yl] propan-2-yl carbonate?
The InChIKey is YSEUIKRTQKCWPO-CPUCUTALSA-N. The full InChI is InChI=1S/C18H22O4/c1-13(2)21-18(20)22-16-10-9-15(12-16)17(19)11-8-14-6-4-3-5-7-14/h3-11,13,15-17,19H,12H2,1-2H3/b11-8+/t15-,16-,17+/m0/s1.
What are the key properties of [(1R,4R)-4-[(E,1R)-1-hydroxy-3-phenylprop-2-enyl]cyclopent-2-en-1-yl] propan-2-yl carbonate?
[(1R,4R)-4-[(E,1R)-1-hydroxy-3-phenylprop-2-enyl]cyclopent-2-en-1-yl] propan-2-yl carbonate has a molecular weight of 302.37 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4R)-4-[(E,1R)-1-hydroxy-3-phenylprop-2-enyl]cyclopent-2-en-1-yl] propan-2-yl carbonate is sourced from PubChem (CID 135002057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).