2-[2-[3-(3-morpholin-4-ylphenoxy)propoxy]carbazol-9-yl]acetic acid

C27H28N2O5 — CID 58948662

IUPAC2-[2-[3-(3-morpholin-4-ylphenoxy)propoxy]carbazol-9-yl]acetic acid
SMILESO=C(O)Cn1c2ccccc2c2ccc(OCCCOc3cccc(N4CCOCC4)c3)cc21
InChIInChI=1S/C27H28N2O5/c30-27(31)19-29-25-8-2-1-7-23(25)24-10-9-22(18-26(24)29)34-14-4-13-33-21-6-3-5-20(17-21)28-11-15-32-16-12-28/h1-3,5-10,17-18H,4,11-16,19H2,(H,30,31)
InChIKeyFMSRRSMLXJQWIL-UHFFFAOYSA-N
MW460.53 g/mol
LogP4.56
Rot. Bonds9

About 2-[2-[3-(3-morpholin-4-ylphenoxy)propoxy]carbazol-9-yl]acetic acid

2-[2-[3-(3-morpholin-4-ylphenoxy)propoxy]carbazol-9-yl]acetic acid (PubChem CID 58948662) has the molecular formula C27H28N2O5 and a molecular weight of 460.53 g/mol. Its IUPAC name is 2-[2-[3-(3-morpholin-4-ylphenoxy)propoxy]carbazol-9-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[3-(3-morpholin-4-ylphenoxy)propoxy]carbazol-9-yl]acetic acid
PubChem CID58948662
Molecular FormulaC27H28N2O5
Molecular Weight460.53 g/mol
Exact Mass460.20
IUPAC Name2-[2-[3-(3-morpholin-4-ylphenoxy)propoxy]carbazol-9-yl]acetic acid
SMILESO=C(O)Cn1c2ccccc2c2ccc(OCCCOc3cccc(N4CCOCC4)c3)cc21
InChIInChI=1S/C27H28N2O5/c30-27(31)19-29-25-8-2-1-7-23(25)24-10-9-22(18-26(24)29)34-14-4-13-33-21-6-3-5-20(17-21)28-11-15-32-16-12-28/h1-3,5-10,17-18H,4,11-16,19H2,(H,30,31)
InChIKeyFMSRRSMLXJQWIL-UHFFFAOYSA-N
XLogP4.56
TPSA73.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(3-morpholin-4-ylphenoxy)propoxy]carbazol-9-yl]acetic acid?
The IUPAC name of 2-[2-[3-(3-morpholin-4-ylphenoxy)propoxy]carbazol-9-yl]acetic acid (CID 58948662) is 2-[2-[3-(3-morpholin-4-ylphenoxy)propoxy]carbazol-9-yl]acetic acid.
What is the SMILES notation for 2-[2-[3-(3-morpholin-4-ylphenoxy)propoxy]carbazol-9-yl]acetic acid?
The canonical SMILES for 2-[2-[3-(3-morpholin-4-ylphenoxy)propoxy]carbazol-9-yl]acetic acid is O=C(O)Cn1c2ccccc2c2ccc(OCCCOc3cccc(N4CCOCC4)c3)cc21.
What is the InChIKey of 2-[2-[3-(3-morpholin-4-ylphenoxy)propoxy]carbazol-9-yl]acetic acid?
The InChIKey is FMSRRSMLXJQWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O5/c30-27(31)19-29-25-8-2-1-7-23(25)24-10-9-22(18-26(24)29)34-14-4-13-33-21-6-3-5-20(17-21)28-11-15-32-16-12-28/h1-3,5-10,17-18H,4,11-16,19H2,(H,30,31).
What are the key properties of 2-[2-[3-(3-morpholin-4-ylphenoxy)propoxy]carbazol-9-yl]acetic acid?
2-[2-[3-(3-morpholin-4-ylphenoxy)propoxy]carbazol-9-yl]acetic acid has a molecular weight of 460.53 g/mol, XLogP of 4.56, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(3-morpholin-4-ylphenoxy)propoxy]carbazol-9-yl]acetic acid is sourced from PubChem (CID 58948662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).