trans-ethyl (1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxylate

C19H20O3 — CID 66714771

IUPACtrans-ethyl (1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H20O3/c1-2-21-19(20)18-12-17(18)15-8-10-16(11-9-15)22-13-14-6-4-3-5-7-14/h3-11,17-18H,2,12-13H2,1H3/t17-,18+/m0/s1
InChIKeyNLFABWQFHOJSQU-ZWKOTPCHSA-N
MW296.37 g/mol
LogP3.93
Rot. Bonds6

About trans-ethyl (1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxylate

trans-ethyl (1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxylate (PubChem CID 66714771) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is trans-ethyl (1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nametrans-ethyl (1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxylate
PubChem CID66714771
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Nametrans-ethyl (1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H20O3/c1-2-21-19(20)18-12-17(18)15-8-10-16(11-9-15)22-13-14-6-4-3-5-7-14/h3-11,17-18H,2,12-13H2,1H3/t17-,18+/m0/s1
InChIKeyNLFABWQFHOJSQU-ZWKOTPCHSA-N
XLogP3.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-phenylcyclopropane-1-carboxylate;2-phenylcyclopropane-1-carboxylic acid
CID 70636165
N-methyl-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 56787945
ethyl 3-(4-phenylmethoxyphenyl)oxirane-2-carboxylate
CID 11277925
1-[(2R)-2-methylcyclopropyl]-4-phenylmethoxybenzene
CID 121309338
N-(3-aminobutyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119496644
ethyl 2-(5-phenylmethoxy-1H-indol-3-yl)cyclopropane-1-carboxylate
CID 66819023
1-[4-[(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 166287114
cis-ethyl (1S,2R)-2-naphthalen-2-ylcyclopropane-1-carboxylate
CID 15758689
N-(3-aminopropyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 119406404
ethyl 2-[4-[[4-[2-(4-cyanophenyl)-2-methoxyiminoethoxy]phenyl]methoxy]phenyl]cyclopropane-1-carboxylate
CID 123200814
trans-(1R,2R)-2-(4-ethoxyphenyl)cyclopropane-1-carboxylic acid
CID 39058010
cis-(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine
CID 51888240

Frequently Asked Questions

What is the IUPAC name of trans-ethyl (1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxylate?
The IUPAC name of trans-ethyl (1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxylate (CID 66714771) is trans-ethyl (1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxylate.
What is the SMILES notation for trans-ethyl (1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxylate?
The canonical SMILES for trans-ethyl (1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxylate is CCOC(=O)[C@@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of trans-ethyl (1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxylate?
The InChIKey is NLFABWQFHOJSQU-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H20O3/c1-2-21-19(20)18-12-17(18)15-8-10-16(11-9-15)22-13-14-6-4-3-5-7-14/h3-11,17-18H,2,12-13H2,1H3/t17-,18+/m0/s1.
What are the key properties of trans-ethyl (1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxylate?
trans-ethyl (1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxylate has a molecular weight of 296.37 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-ethyl (1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 66714771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).