2-[1-(3-chloro-5-propan-2-yloxyphenyl)ethoxy]-3-phenylmorpholine

C21H26ClNO3 — CID 10156343

IUPAC2-[1-(3-chloro-5-propan-2-yloxyphenyl)ethoxy]-3-phenylmorpholine
SMILESCC(C)Oc1cc(Cl)cc(C(C)OC2OCCNC2c2ccccc2)c1
InChIInChI=1S/C21H26ClNO3/c1-14(2)25-19-12-17(11-18(22)13-19)15(3)26-21-20(23-9-10-24-21)16-7-5-4-6-8-16/h4-8,11-15,20-21,23H,9-10H2,1-3H3
InChIKeyFSZSXNHVHXRIPX-UHFFFAOYSA-N
MW375.90 g/mol
LogP4.89
Rot. Bonds6

About 2-[1-(3-chloro-5-propan-2-yloxyphenyl)ethoxy]-3-phenylmorpholine

2-[1-(3-chloro-5-propan-2-yloxyphenyl)ethoxy]-3-phenylmorpholine (PubChem CID 10156343) has the molecular formula C21H26ClNO3 and a molecular weight of 375.90 g/mol. Its IUPAC name is 2-[1-(3-chloro-5-propan-2-yloxyphenyl)ethoxy]-3-phenylmorpholine.

Molecular Properties

Compound Name2-[1-(3-chloro-5-propan-2-yloxyphenyl)ethoxy]-3-phenylmorpholine
PubChem CID10156343
Molecular FormulaC21H26ClNO3
Molecular Weight375.90 g/mol
Exact Mass375.16
IUPAC Name2-[1-(3-chloro-5-propan-2-yloxyphenyl)ethoxy]-3-phenylmorpholine
SMILESCC(C)Oc1cc(Cl)cc(C(C)OC2OCCNC2c2ccccc2)c1
InChIInChI=1S/C21H26ClNO3/c1-14(2)25-19-12-17(11-18(22)13-19)15(3)26-21-20(23-9-10-24-21)16-7-5-4-6-8-16/h4-8,11-15,20-21,23H,9-10H2,1-3H3
InChIKeyFSZSXNHVHXRIPX-UHFFFAOYSA-N
XLogP4.89
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chloro-5-propan-2-yloxyphenyl)ethoxy]-3-phenylmorpholine?
The IUPAC name of 2-[1-(3-chloro-5-propan-2-yloxyphenyl)ethoxy]-3-phenylmorpholine (CID 10156343) is 2-[1-(3-chloro-5-propan-2-yloxyphenyl)ethoxy]-3-phenylmorpholine.
What is the SMILES notation for 2-[1-(3-chloro-5-propan-2-yloxyphenyl)ethoxy]-3-phenylmorpholine?
The canonical SMILES for 2-[1-(3-chloro-5-propan-2-yloxyphenyl)ethoxy]-3-phenylmorpholine is CC(C)Oc1cc(Cl)cc(C(C)OC2OCCNC2c2ccccc2)c1.
What is the InChIKey of 2-[1-(3-chloro-5-propan-2-yloxyphenyl)ethoxy]-3-phenylmorpholine?
The InChIKey is FSZSXNHVHXRIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClNO3/c1-14(2)25-19-12-17(11-18(22)13-19)15(3)26-21-20(23-9-10-24-21)16-7-5-4-6-8-16/h4-8,11-15,20-21,23H,9-10H2,1-3H3.
What are the key properties of 2-[1-(3-chloro-5-propan-2-yloxyphenyl)ethoxy]-3-phenylmorpholine?
2-[1-(3-chloro-5-propan-2-yloxyphenyl)ethoxy]-3-phenylmorpholine has a molecular weight of 375.90 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chloro-5-propan-2-yloxyphenyl)ethoxy]-3-phenylmorpholine is sourced from PubChem (CID 10156343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).