4-methyl-2-(3-morpholin-4-yl-1-phenylpropyl)phenol

C20H25NO2 — CID 12043587

IUPAC4-methyl-2-(3-morpholin-4-yl-1-phenylpropyl)phenol
SMILESCc1ccc(O)c(C(CCN2CCOCC2)c2ccccc2)c1
InChIInChI=1S/C20H25NO2/c1-16-7-8-20(22)19(15-16)18(17-5-3-2-4-6-17)9-10-21-11-13-23-14-12-21/h2-8,15,18,22H,9-14H2,1H3
InChIKeyPUHAQEWSWDUHDD-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.55
Rot. Bonds5

About 4-methyl-2-(3-morpholin-4-yl-1-phenylpropyl)phenol

4-methyl-2-(3-morpholin-4-yl-1-phenylpropyl)phenol (PubChem CID 12043587) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 4-methyl-2-(3-morpholin-4-yl-1-phenylpropyl)phenol.

Molecular Properties

Compound Name4-methyl-2-(3-morpholin-4-yl-1-phenylpropyl)phenol
PubChem CID12043587
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name4-methyl-2-(3-morpholin-4-yl-1-phenylpropyl)phenol
SMILESCc1ccc(O)c(C(CCN2CCOCC2)c2ccccc2)c1
InChIInChI=1S/C20H25NO2/c1-16-7-8-20(22)19(15-16)18(17-5-3-2-4-6-17)9-10-21-11-13-23-14-12-21/h2-8,15,18,22H,9-14H2,1H3
InChIKeyPUHAQEWSWDUHDD-UHFFFAOYSA-N
XLogP3.55
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-morpholin-4-yl-1-phenylpropyl)phenol?
The IUPAC name of 4-methyl-2-(3-morpholin-4-yl-1-phenylpropyl)phenol (CID 12043587) is 4-methyl-2-(3-morpholin-4-yl-1-phenylpropyl)phenol.
What is the SMILES notation for 4-methyl-2-(3-morpholin-4-yl-1-phenylpropyl)phenol?
The canonical SMILES for 4-methyl-2-(3-morpholin-4-yl-1-phenylpropyl)phenol is Cc1ccc(O)c(C(CCN2CCOCC2)c2ccccc2)c1.
What is the InChIKey of 4-methyl-2-(3-morpholin-4-yl-1-phenylpropyl)phenol?
The InChIKey is PUHAQEWSWDUHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-16-7-8-20(22)19(15-16)18(17-5-3-2-4-6-17)9-10-21-11-13-23-14-12-21/h2-8,15,18,22H,9-14H2,1H3.
What are the key properties of 4-methyl-2-(3-morpholin-4-yl-1-phenylpropyl)phenol?
4-methyl-2-(3-morpholin-4-yl-1-phenylpropyl)phenol has a molecular weight of 311.43 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-morpholin-4-yl-1-phenylpropyl)phenol is sourced from PubChem (CID 12043587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).