2-morpholin-4-ylethyl 4-fluoro-3-(1-methylcyclohexyl)oxybenzoate

C20H28FNO4 — CID 171607835

IUPAC2-morpholin-4-ylethyl 4-fluoro-3-(1-methylcyclohexyl)oxybenzoate
SMILESCC1(Oc2cc(C(=O)OCCN3CCOCC3)ccc2F)CCCCC1
InChIInChI=1S/C20H28FNO4/c1-20(7-3-2-4-8-20)26-18-15-16(5-6-17(18)21)19(23)25-14-11-22-9-12-24-13-10-22/h5-6,15H,2-4,7-14H2,1H3
InChIKeyVBGXWRCVWABPAO-UHFFFAOYSA-N
MW365.45 g/mol
LogP3.42
Rot. Bonds6

About 2-morpholin-4-ylethyl 4-fluoro-3-(1-methylcyclohexyl)oxybenzoate

2-morpholin-4-ylethyl 4-fluoro-3-(1-methylcyclohexyl)oxybenzoate (PubChem CID 171607835) has the molecular formula C20H28FNO4 and a molecular weight of 365.45 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl 4-fluoro-3-(1-methylcyclohexyl)oxybenzoate.

Molecular Properties

Compound Name2-morpholin-4-ylethyl 4-fluoro-3-(1-methylcyclohexyl)oxybenzoate
PubChem CID171607835
Molecular FormulaC20H28FNO4
Molecular Weight365.45 g/mol
Exact Mass365.20
IUPAC Name2-morpholin-4-ylethyl 4-fluoro-3-(1-methylcyclohexyl)oxybenzoate
SMILESCC1(Oc2cc(C(=O)OCCN3CCOCC3)ccc2F)CCCCC1
InChIInChI=1S/C20H28FNO4/c1-20(7-3-2-4-8-20)26-18-15-16(5-6-17(18)21)19(23)25-14-11-22-9-12-24-13-10-22/h5-6,15H,2-4,7-14H2,1H3
InChIKeyVBGXWRCVWABPAO-UHFFFAOYSA-N
XLogP3.42
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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(2-Morpholin-4-yl-2-oxoethyl) 2-[(4-fluorophenyl)methoxy]benzoate
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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl 4-fluoro-3-(1-methylcyclohexyl)oxybenzoate?
The IUPAC name of 2-morpholin-4-ylethyl 4-fluoro-3-(1-methylcyclohexyl)oxybenzoate (CID 171607835) is 2-morpholin-4-ylethyl 4-fluoro-3-(1-methylcyclohexyl)oxybenzoate.
What is the SMILES notation for 2-morpholin-4-ylethyl 4-fluoro-3-(1-methylcyclohexyl)oxybenzoate?
The canonical SMILES for 2-morpholin-4-ylethyl 4-fluoro-3-(1-methylcyclohexyl)oxybenzoate is CC1(Oc2cc(C(=O)OCCN3CCOCC3)ccc2F)CCCCC1.
What is the InChIKey of 2-morpholin-4-ylethyl 4-fluoro-3-(1-methylcyclohexyl)oxybenzoate?
The InChIKey is VBGXWRCVWABPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FNO4/c1-20(7-3-2-4-8-20)26-18-15-16(5-6-17(18)21)19(23)25-14-11-22-9-12-24-13-10-22/h5-6,15H,2-4,7-14H2,1H3.
What are the key properties of 2-morpholin-4-ylethyl 4-fluoro-3-(1-methylcyclohexyl)oxybenzoate?
2-morpholin-4-ylethyl 4-fluoro-3-(1-methylcyclohexyl)oxybenzoate has a molecular weight of 365.45 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl 4-fluoro-3-(1-methylcyclohexyl)oxybenzoate is sourced from PubChem (CID 171607835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).