[1-[(4-fluorophenyl)methyl]cyclopropyl] 2-(4-methoxyphenyl)acetate

C19H19FO3 — CID 100696047

IUPAC[1-[(4-fluorophenyl)methyl]cyclopropyl] 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OC2(Cc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C19H19FO3/c1-22-17-8-4-14(5-9-17)12-18(21)23-19(10-11-19)13-15-2-6-16(20)7-3-15/h2-9H,10-13H2,1H3
InChIKeyGOORAFPKBFLDAZ-UHFFFAOYSA-N
MW314.36 g/mol
LogP3.70
Rot. Bonds6

About [1-[(4-fluorophenyl)methyl]cyclopropyl] 2-(4-methoxyphenyl)acetate

[1-[(4-fluorophenyl)methyl]cyclopropyl] 2-(4-methoxyphenyl)acetate (PubChem CID 100696047) has the molecular formula C19H19FO3 and a molecular weight of 314.36 g/mol. Its IUPAC name is [1-[(4-fluorophenyl)methyl]cyclopropyl] 2-(4-methoxyphenyl)acetate.

Molecular Properties

Compound Name[1-[(4-fluorophenyl)methyl]cyclopropyl] 2-(4-methoxyphenyl)acetate
PubChem CID100696047
Molecular FormulaC19H19FO3
Molecular Weight314.36 g/mol
Exact Mass314.13
IUPAC Name[1-[(4-fluorophenyl)methyl]cyclopropyl] 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OC2(Cc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C19H19FO3/c1-22-17-8-4-14(5-9-17)12-18(21)23-19(10-11-19)13-15-2-6-16(20)7-3-15/h2-9H,10-13H2,1H3
InChIKeyGOORAFPKBFLDAZ-UHFFFAOYSA-N
XLogP3.70
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(4-fluorophenyl)methyl]cyclopropyl] 2-aminoacetate
CID 90873391
N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 108538633
[1-[(4-fluorophenyl)methyl]cyclopropyl] (E)-3-(5-methoxy-3-pyridinyl)prop-2-enoate
CID 167855076
(4-methoxyphenyl) 2-(4-methoxyphenyl)acetate
CID 914131
3-[2-(4-methoxyphenyl)acetyl]oxypropyl 2-(4-methoxyphenyl)acetate
CID 55393887
2-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 94010767
2-(4-fluorophenyl)-1-(1-methoxycyclobutyl)ethanone
CID 116706780
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 2713156
2-(4-fluorophenyl)-N-[2-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]ethyl]acetamide
CID 16673348
[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate
CID 8011674
2-(4-fluorophenyl)-1-(1-methoxycycloheptyl)ethanone
CID 116750408
2-(4-fluorophenyl)-1-[4-(4-methoxybenzoyl)piperazin-1-yl]ethanone
CID 55574750

Frequently Asked Questions

What is the IUPAC name of [1-[(4-fluorophenyl)methyl]cyclopropyl] 2-(4-methoxyphenyl)acetate?
The IUPAC name of [1-[(4-fluorophenyl)methyl]cyclopropyl] 2-(4-methoxyphenyl)acetate (CID 100696047) is [1-[(4-fluorophenyl)methyl]cyclopropyl] 2-(4-methoxyphenyl)acetate.
What is the SMILES notation for [1-[(4-fluorophenyl)methyl]cyclopropyl] 2-(4-methoxyphenyl)acetate?
The canonical SMILES for [1-[(4-fluorophenyl)methyl]cyclopropyl] 2-(4-methoxyphenyl)acetate is COc1ccc(CC(=O)OC2(Cc3ccc(F)cc3)CC2)cc1.
What is the InChIKey of [1-[(4-fluorophenyl)methyl]cyclopropyl] 2-(4-methoxyphenyl)acetate?
The InChIKey is GOORAFPKBFLDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FO3/c1-22-17-8-4-14(5-9-17)12-18(21)23-19(10-11-19)13-15-2-6-16(20)7-3-15/h2-9H,10-13H2,1H3.
What are the key properties of [1-[(4-fluorophenyl)methyl]cyclopropyl] 2-(4-methoxyphenyl)acetate?
[1-[(4-fluorophenyl)methyl]cyclopropyl] 2-(4-methoxyphenyl)acetate has a molecular weight of 314.36 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-fluorophenyl)methyl]cyclopropyl] 2-(4-methoxyphenyl)acetate is sourced from PubChem (CID 100696047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).