propan-2-yl (1R,2R,4R)-1-hydroxy-4-phenyl-2-prop-1-en-2-ylcyclopentane-1-carboxylate

C18H24O3 — CID 10517472

IUPACpropan-2-yl (1R,2R,4R)-1-hydroxy-4-phenyl-2-prop-1-en-2-ylcyclopentane-1-carboxylate
SMILESC=C(C)[C@H]1C[C@@H](c2ccccc2)C[C@]1(O)C(=O)OC(C)C
InChIInChI=1S/C18H24O3/c1-12(2)16-10-15(14-8-6-5-7-9-14)11-18(16,20)17(19)21-13(3)4/h5-9,13,15-16,20H,1,10-11H2,2-4H3/t15-,16-,18-/m1/s1
InChIKeyTUQCNJDTCMPEQX-JFIYKMOQSA-N
MW288.39 g/mol
LogP3.44
Rot. Bonds4

About propan-2-yl (1R,2R,4R)-1-hydroxy-4-phenyl-2-prop-1-en-2-ylcyclopentane-1-carboxylate

propan-2-yl (1R,2R,4R)-1-hydroxy-4-phenyl-2-prop-1-en-2-ylcyclopentane-1-carboxylate (PubChem CID 10517472) has the molecular formula C18H24O3 and a molecular weight of 288.39 g/mol. Its IUPAC name is propan-2-yl (1R,2R,4R)-1-hydroxy-4-phenyl-2-prop-1-en-2-ylcyclopentane-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl (1R,2R,4R)-1-hydroxy-4-phenyl-2-prop-1-en-2-ylcyclopentane-1-carboxylate
PubChem CID10517472
Molecular FormulaC18H24O3
Molecular Weight288.39 g/mol
Exact Mass288.17
IUPAC Namepropan-2-yl (1R,2R,4R)-1-hydroxy-4-phenyl-2-prop-1-en-2-ylcyclopentane-1-carboxylate
SMILESC=C(C)[C@H]1C[C@@H](c2ccccc2)C[C@]1(O)C(=O)OC(C)C
InChIInChI=1S/C18H24O3/c1-12(2)16-10-15(14-8-6-5-7-9-14)11-18(16,20)17(19)21-13(3)4/h5-9,13,15-16,20H,1,10-11H2,2-4H3/t15-,16-,18-/m1/s1
InChIKeyTUQCNJDTCMPEQX-JFIYKMOQSA-N
XLogP3.44
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cis-propan-2-yl (1S,2S)-1-hydroxy-4-phenyl-2-prop-1-en-2-ylcyclopentane-1-carboxylate
CID 102250134
trans-propan-2-yl (1R,5S)-1-hydroxy-3-methylidene-5-phenylcyclohexane-1-carboxylate
CID 10849938
trans-propan-2-yl (1R,2S)-1-nitro-2-phenylcyclopropane-1-carboxylate
CID 101223761
2-methyl-N-(3-phenylcyclobutyl)propanamide
CID 166834731
dipropan-2-yl (1R,2S,3R,4R)-1-hydroxy-3-phenyl-4-(2-phenylethynyl)cyclopentane-1,2-dicarboxylate
CID 53235986
propan-2-yl (1S,5R)-1-hydroxy-4-oxo-2,5-diphenylcyclohex-2-ene-1-carboxylate
CID 164670608
dipropan-2-yl tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,15-dicarboxylate
CID 14173409
benzene;propan-2-yl 2-methylprop-2-enoate
CID 174524984
cis-2,4-dimethylpentan-3-yl (1S,2S)-1-bromo-2-phenylcyclopropane-1-carboxylate
CID 102232951
methyl 1-(2-methylprop-2-enoyl)-2-phenylcyclopropane-1-carboxylate
CID 102264441
cis-diethyl (3R,4R)-3-hydroxy-3-phenyl-4-prop-1-en-2-ylcyclopentane-1,1-dicarboxylate
CID 177406977
methyl (2R,3S)-3-hydroxy-2-[(3-phenylcyclobutyl)amino]butanoate
CID 99834984

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (1R,2R,4R)-1-hydroxy-4-phenyl-2-prop-1-en-2-ylcyclopentane-1-carboxylate?
The IUPAC name of propan-2-yl (1R,2R,4R)-1-hydroxy-4-phenyl-2-prop-1-en-2-ylcyclopentane-1-carboxylate (CID 10517472) is propan-2-yl (1R,2R,4R)-1-hydroxy-4-phenyl-2-prop-1-en-2-ylcyclopentane-1-carboxylate.
What is the SMILES notation for propan-2-yl (1R,2R,4R)-1-hydroxy-4-phenyl-2-prop-1-en-2-ylcyclopentane-1-carboxylate?
The canonical SMILES for propan-2-yl (1R,2R,4R)-1-hydroxy-4-phenyl-2-prop-1-en-2-ylcyclopentane-1-carboxylate is C=C(C)[C@H]1C[C@@H](c2ccccc2)C[C@]1(O)C(=O)OC(C)C.
What is the InChIKey of propan-2-yl (1R,2R,4R)-1-hydroxy-4-phenyl-2-prop-1-en-2-ylcyclopentane-1-carboxylate?
The InChIKey is TUQCNJDTCMPEQX-JFIYKMOQSA-N. The full InChI is InChI=1S/C18H24O3/c1-12(2)16-10-15(14-8-6-5-7-9-14)11-18(16,20)17(19)21-13(3)4/h5-9,13,15-16,20H,1,10-11H2,2-4H3/t15-,16-,18-/m1/s1.
What are the key properties of propan-2-yl (1R,2R,4R)-1-hydroxy-4-phenyl-2-prop-1-en-2-ylcyclopentane-1-carboxylate?
propan-2-yl (1R,2R,4R)-1-hydroxy-4-phenyl-2-prop-1-en-2-ylcyclopentane-1-carboxylate has a molecular weight of 288.39 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (1R,2R,4R)-1-hydroxy-4-phenyl-2-prop-1-en-2-ylcyclopentane-1-carboxylate is sourced from PubChem (CID 10517472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).