[2-(4-phenylmethoxyphenyl)cyclopropyl] butanoate

C20H22O3 — CID 174231833

IUPAC[2-(4-phenylmethoxyphenyl)cyclopropyl] butanoate
SMILESCCCC(=O)OC1CC1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H22O3/c1-2-6-20(21)23-19-13-18(19)16-9-11-17(12-10-16)22-14-15-7-4-3-5-8-15/h3-5,7-12,18-19H,2,6,13-14H2,1H3
InChIKeyUIOMWIFUURCDRR-UHFFFAOYSA-N
MW310.39 g/mol
LogP4.46
Rot. Bonds7

About [2-(4-phenylmethoxyphenyl)cyclopropyl] butanoate

[2-(4-phenylmethoxyphenyl)cyclopropyl] butanoate (PubChem CID 174231833) has the molecular formula C20H22O3 and a molecular weight of 310.39 g/mol. Its IUPAC name is [2-(4-phenylmethoxyphenyl)cyclopropyl] butanoate.

Molecular Properties

Compound Name[2-(4-phenylmethoxyphenyl)cyclopropyl] butanoate
PubChem CID174231833
Molecular FormulaC20H22O3
Molecular Weight310.39 g/mol
Exact Mass310.16
IUPAC Name[2-(4-phenylmethoxyphenyl)cyclopropyl] butanoate
SMILESCCCC(=O)OC1CC1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H22O3/c1-2-6-20(21)23-19-13-18(19)16-9-11-17(12-10-16)22-14-15-7-4-3-5-8-15/h3-5,7-12,18-19H,2,6,13-14H2,1H3
InChIKeyUIOMWIFUURCDRR-UHFFFAOYSA-N
XLogP4.46
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-phenylmethoxyphenyl)cyclohexyl] hexanoate
CID 76510080
1-[(2R)-2-methylcyclopropyl]-4-phenylmethoxybenzene
CID 121309338
trans-ethyl (1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxylate
CID 66714771
N-methyl-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 56787945
2-(4-phenylmethoxyphenyl)ethyl butanoate
CID 67494063
(1,3-dioxo-5-phenylmethoxyinden-2-yl) butanoate
CID 139638191
cis-(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine
CID 51888240
1-[(1S,2R)-2-bromocyclopropyl]-4-phenylmethoxybenzene
CID 130539986
1-[(1S)-2-nitrocyclopropyl]-4-phenylmethoxybenzene
CID 134350485
[(1R,2S)-2-(3-phenylmethoxyphenyl)cyclohexyl] hexanoate
CID 54283260
[(1S,2S,4R)-7-phenylmethoxy-2-bicyclo[2.2.1]heptanyl] butanoate
CID 23256435
1-[4-[(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 166287114

Frequently Asked Questions

What is the IUPAC name of [2-(4-phenylmethoxyphenyl)cyclopropyl] butanoate?
The IUPAC name of [2-(4-phenylmethoxyphenyl)cyclopropyl] butanoate (CID 174231833) is [2-(4-phenylmethoxyphenyl)cyclopropyl] butanoate.
What is the SMILES notation for [2-(4-phenylmethoxyphenyl)cyclopropyl] butanoate?
The canonical SMILES for [2-(4-phenylmethoxyphenyl)cyclopropyl] butanoate is CCCC(=O)OC1CC1c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of [2-(4-phenylmethoxyphenyl)cyclopropyl] butanoate?
The InChIKey is UIOMWIFUURCDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O3/c1-2-6-20(21)23-19-13-18(19)16-9-11-17(12-10-16)22-14-15-7-4-3-5-8-15/h3-5,7-12,18-19H,2,6,13-14H2,1H3.
What are the key properties of [2-(4-phenylmethoxyphenyl)cyclopropyl] butanoate?
[2-(4-phenylmethoxyphenyl)cyclopropyl] butanoate has a molecular weight of 310.39 g/mol, XLogP of 4.46, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-phenylmethoxyphenyl)cyclopropyl] butanoate is sourced from PubChem (CID 174231833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).