4-[2-iodo-5-(4-propan-2-yloxyphenyl)phenyl]morpholine

C19H22INO2 — CID 156578126

IUPAC4-[2-iodo-5-(4-propan-2-yloxyphenyl)phenyl]morpholine
SMILESCC(C)Oc1ccc(-c2ccc(I)c(N3CCOCC3)c2)cc1
InChIInChI=1S/C19H22INO2/c1-14(2)23-17-6-3-15(4-7-17)16-5-8-18(20)19(13-16)21-9-11-22-12-10-21/h3-8,13-14H,9-12H2,1-2H3
InChIKeyNFAOSHDTPHUREC-UHFFFAOYSA-N
MW423.29 g/mol
LogP4.58
Rot. Bonds4

About 4-[2-iodo-5-(4-propan-2-yloxyphenyl)phenyl]morpholine

4-[2-iodo-5-(4-propan-2-yloxyphenyl)phenyl]morpholine (PubChem CID 156578126) has the molecular formula C19H22INO2 and a molecular weight of 423.29 g/mol. Its IUPAC name is 4-[2-iodo-5-(4-propan-2-yloxyphenyl)phenyl]morpholine.

Molecular Properties

Compound Name4-[2-iodo-5-(4-propan-2-yloxyphenyl)phenyl]morpholine
PubChem CID156578126
Molecular FormulaC19H22INO2
Molecular Weight423.29 g/mol
Exact Mass423.07
IUPAC Name4-[2-iodo-5-(4-propan-2-yloxyphenyl)phenyl]morpholine
SMILESCC(C)Oc1ccc(-c2ccc(I)c(N3CCOCC3)c2)cc1
InChIInChI=1S/C19H22INO2/c1-14(2)23-17-6-3-15(4-7-17)16-5-8-18(20)19(13-16)21-9-11-22-12-10-21/h3-8,13-14H,9-12H2,1-2H3
InChIKeyNFAOSHDTPHUREC-UHFFFAOYSA-N
XLogP4.58
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.29
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-iodo-5-(4-propan-2-yloxyphenyl)phenyl]morpholine?
The IUPAC name of 4-[2-iodo-5-(4-propan-2-yloxyphenyl)phenyl]morpholine (CID 156578126) is 4-[2-iodo-5-(4-propan-2-yloxyphenyl)phenyl]morpholine.
What is the SMILES notation for 4-[2-iodo-5-(4-propan-2-yloxyphenyl)phenyl]morpholine?
The canonical SMILES for 4-[2-iodo-5-(4-propan-2-yloxyphenyl)phenyl]morpholine is CC(C)Oc1ccc(-c2ccc(I)c(N3CCOCC3)c2)cc1.
What is the InChIKey of 4-[2-iodo-5-(4-propan-2-yloxyphenyl)phenyl]morpholine?
The InChIKey is NFAOSHDTPHUREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22INO2/c1-14(2)23-17-6-3-15(4-7-17)16-5-8-18(20)19(13-16)21-9-11-22-12-10-21/h3-8,13-14H,9-12H2,1-2H3.
What are the key properties of 4-[2-iodo-5-(4-propan-2-yloxyphenyl)phenyl]morpholine?
4-[2-iodo-5-(4-propan-2-yloxyphenyl)phenyl]morpholine has a molecular weight of 423.29 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-iodo-5-(4-propan-2-yloxyphenyl)phenyl]morpholine is sourced from PubChem (CID 156578126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).