2-morpholin-4-ylethyl 4-fluoro-3-(1-phenylcyclopentyl)oxycarbonyloxybenzoate

C25H28FNO6 — CID 171607901

IUPAC2-morpholin-4-ylethyl 4-fluoro-3-(1-phenylcyclopentyl)oxycarbonyloxybenzoate
SMILESO=C(Oc1cc(C(=O)OCCN2CCOCC2)ccc1F)OC1(c2ccccc2)CCCC1
InChIInChI=1S/C25H28FNO6/c26-21-9-8-19(23(28)31-17-14-27-12-15-30-16-13-27)18-22(21)32-24(29)33-25(10-4-5-11-25)20-6-2-1-3-7-20/h1-3,6-9,18H,4-5,10-17H2
InChIKeyIETYGOAWKDHBTE-UHFFFAOYSA-N
MW457.50 g/mol
LogP4.30
Rot. Bonds7

About 2-morpholin-4-ylethyl 4-fluoro-3-(1-phenylcyclopentyl)oxycarbonyloxybenzoate

2-morpholin-4-ylethyl 4-fluoro-3-(1-phenylcyclopentyl)oxycarbonyloxybenzoate (PubChem CID 171607901) has the molecular formula C25H28FNO6 and a molecular weight of 457.50 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl 4-fluoro-3-(1-phenylcyclopentyl)oxycarbonyloxybenzoate.

Molecular Properties

Compound Name2-morpholin-4-ylethyl 4-fluoro-3-(1-phenylcyclopentyl)oxycarbonyloxybenzoate
PubChem CID171607901
Molecular FormulaC25H28FNO6
Molecular Weight457.50 g/mol
Exact Mass457.19
IUPAC Name2-morpholin-4-ylethyl 4-fluoro-3-(1-phenylcyclopentyl)oxycarbonyloxybenzoate
SMILESO=C(Oc1cc(C(=O)OCCN2CCOCC2)ccc1F)OC1(c2ccccc2)CCCC1
InChIInChI=1S/C25H28FNO6/c26-21-9-8-19(23(28)31-17-14-27-12-15-30-16-13-27)18-22(21)32-24(29)33-25(10-4-5-11-25)20-6-2-1-3-7-20/h1-3,6-9,18H,4-5,10-17H2
InChIKeyIETYGOAWKDHBTE-UHFFFAOYSA-N
XLogP4.30
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.50
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-morpholin-4-ylethyl 2-phenoxypyridine-4-carboxylate
CID 167823575
3-(1-phenylcyclopentyl)oxycarbonyloxy-4-(trifluoromethyl)benzoic acid
CID 170685941
hydron;2-morpholin-4-ylethyl 3,4-dimethoxybenzoate;chloride
CID 660605
2-morpholin-4-ylethyl 2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-6-carboxylate
CID 54469991
3-fluoro-4-(2-morpholin-4-ylethoxy)benzoic acid
CID 107689816
2-morpholin-4-ylethyl 3-amino-4-methoxybenzoate
CID 61321668
3-fluoro-4-(2-morpholin-4-ylethoxy)benzamide
CID 22318780
2-morpholin-4-ylethyl 4-(trifluoromethoxy)benzoate
CID 166930213
2-morpholin-4-ylethyl 4-methoxybenzoate
CID 739087
2-morpholin-4-ylethyl 2-iodobenzoate
CID 989917
2-morpholin-4-ylethyl (1S)-1-phenylcyclohex-2-ene-1-carboxylate
CID 162678587
2-morpholin-4-ylethyl 4-methoxybenzoate;hydrochloride
CID 2836400

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl 4-fluoro-3-(1-phenylcyclopentyl)oxycarbonyloxybenzoate?
The IUPAC name of 2-morpholin-4-ylethyl 4-fluoro-3-(1-phenylcyclopentyl)oxycarbonyloxybenzoate (CID 171607901) is 2-morpholin-4-ylethyl 4-fluoro-3-(1-phenylcyclopentyl)oxycarbonyloxybenzoate.
What is the SMILES notation for 2-morpholin-4-ylethyl 4-fluoro-3-(1-phenylcyclopentyl)oxycarbonyloxybenzoate?
The canonical SMILES for 2-morpholin-4-ylethyl 4-fluoro-3-(1-phenylcyclopentyl)oxycarbonyloxybenzoate is O=C(Oc1cc(C(=O)OCCN2CCOCC2)ccc1F)OC1(c2ccccc2)CCCC1.
What is the InChIKey of 2-morpholin-4-ylethyl 4-fluoro-3-(1-phenylcyclopentyl)oxycarbonyloxybenzoate?
The InChIKey is IETYGOAWKDHBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FNO6/c26-21-9-8-19(23(28)31-17-14-27-12-15-30-16-13-27)18-22(21)32-24(29)33-25(10-4-5-11-25)20-6-2-1-3-7-20/h1-3,6-9,18H,4-5,10-17H2.
What are the key properties of 2-morpholin-4-ylethyl 4-fluoro-3-(1-phenylcyclopentyl)oxycarbonyloxybenzoate?
2-morpholin-4-ylethyl 4-fluoro-3-(1-phenylcyclopentyl)oxycarbonyloxybenzoate has a molecular weight of 457.50 g/mol, XLogP of 4.30, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl 4-fluoro-3-(1-phenylcyclopentyl)oxycarbonyloxybenzoate is sourced from PubChem (CID 171607901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).