trans-ethyl (1R,2R)-2-phenyl-4-(3-phenylpropyl)cyclopentane-1-carboxylate

C23H28O2 — CID 170620520

IUPACtrans-ethyl (1R,2R)-2-phenyl-4-(3-phenylpropyl)cyclopentane-1-carboxylate
SMILESCCOC(=O)[C@@H]1CC(CCCc2ccccc2)C[C@H]1c1ccccc1
InChIInChI=1S/C23H28O2/c1-2-25-23(24)22-17-19(13-9-12-18-10-5-3-6-11-18)16-21(22)20-14-7-4-8-15-20/h3-8,10-11,14-15,19,21-22H,2,9,12-13,16-17H2,1H3/t19?,21-,22+/m0/s1
InChIKeyDRWPQIUVUSMGAZ-YPURBLFUSA-N
MW336.48 g/mol
LogP5.38
Rot. Bonds7

About trans-ethyl (1R,2R)-2-phenyl-4-(3-phenylpropyl)cyclopentane-1-carboxylate

trans-ethyl (1R,2R)-2-phenyl-4-(3-phenylpropyl)cyclopentane-1-carboxylate (PubChem CID 170620520) has the molecular formula C23H28O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is trans-ethyl (1R,2R)-2-phenyl-4-(3-phenylpropyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nametrans-ethyl (1R,2R)-2-phenyl-4-(3-phenylpropyl)cyclopentane-1-carboxylate
PubChem CID170620520
Molecular FormulaC23H28O2
Molecular Weight336.48 g/mol
Exact Mass336.21
IUPAC Nametrans-ethyl (1R,2R)-2-phenyl-4-(3-phenylpropyl)cyclopentane-1-carboxylate
SMILESCCOC(=O)[C@@H]1CC(CCCc2ccccc2)C[C@H]1c1ccccc1
InChIInChI=1S/C23H28O2/c1-2-25-23(24)22-17-19(13-9-12-18-10-5-3-6-11-18)16-21(22)20-14-7-4-8-15-20/h3-8,10-11,14-15,19,21-22H,2,9,12-13,16-17H2,1H3/t19?,21-,22+/m0/s1
InChIKeyDRWPQIUVUSMGAZ-YPURBLFUSA-N
XLogP5.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.48
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Phenethyl phenylacetate
CID 7601
Iophendylate
CID 7458
Ethyl 3-phenylpropionate
CID 16237
Phenethyl octanoate
CID 229888
Ethyl 4-phenylbutanoate
CID 61452
3-Phenyl propyl hexanoate
CID 221417
Benzeneacetic acid, alpha-methyl-, ethyl ester
CID 99643
Citronellyl phenylacetate
CID 8767
Phenethyl decanoate
CID 112733
Ethyl 2-ethyl-3-phenylpropanoate
CID 62469
Benzenepropanoic acid, 3-phenylpropyl ester
CID 108879
Rhodinyl phenylacetate
CID 23623724

Frequently Asked Questions

What is the IUPAC name of trans-ethyl (1R,2R)-2-phenyl-4-(3-phenylpropyl)cyclopentane-1-carboxylate?
The IUPAC name of trans-ethyl (1R,2R)-2-phenyl-4-(3-phenylpropyl)cyclopentane-1-carboxylate (CID 170620520) is trans-ethyl (1R,2R)-2-phenyl-4-(3-phenylpropyl)cyclopentane-1-carboxylate.
What is the SMILES notation for trans-ethyl (1R,2R)-2-phenyl-4-(3-phenylpropyl)cyclopentane-1-carboxylate?
The canonical SMILES for trans-ethyl (1R,2R)-2-phenyl-4-(3-phenylpropyl)cyclopentane-1-carboxylate is CCOC(=O)[C@@H]1CC(CCCc2ccccc2)C[C@H]1c1ccccc1.
What is the InChIKey of trans-ethyl (1R,2R)-2-phenyl-4-(3-phenylpropyl)cyclopentane-1-carboxylate?
The InChIKey is DRWPQIUVUSMGAZ-YPURBLFUSA-N. The full InChI is InChI=1S/C23H28O2/c1-2-25-23(24)22-17-19(13-9-12-18-10-5-3-6-11-18)16-21(22)20-14-7-4-8-15-20/h3-8,10-11,14-15,19,21-22H,2,9,12-13,16-17H2,1H3/t19?,21-,22+/m0/s1.
What are the key properties of trans-ethyl (1R,2R)-2-phenyl-4-(3-phenylpropyl)cyclopentane-1-carboxylate?
trans-ethyl (1R,2R)-2-phenyl-4-(3-phenylpropyl)cyclopentane-1-carboxylate has a molecular weight of 336.48 g/mol, XLogP of 5.38, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-ethyl (1R,2R)-2-phenyl-4-(3-phenylpropyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 170620520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).