2-[morpholin-4-yl-(4-phenylphenyl)methyl]phenol

C23H23NO2 — CID 102327495

IUPAC2-[morpholin-4-yl-(4-phenylphenyl)methyl]phenol
SMILESOc1ccccc1C(c1ccc(-c2ccccc2)cc1)N1CCOCC1
InChIInChI=1S/C23H23NO2/c25-22-9-5-4-8-21(22)23(24-14-16-26-17-15-24)20-12-10-19(11-13-20)18-6-2-1-3-7-18/h1-13,23,25H,14-17H2
InChIKeyZVPQQAPXEKMCEO-UHFFFAOYSA-N
MW345.44 g/mol
LogP4.48
Rot. Bonds4

About 2-[morpholin-4-yl-(4-phenylphenyl)methyl]phenol

2-[morpholin-4-yl-(4-phenylphenyl)methyl]phenol (PubChem CID 102327495) has the molecular formula C23H23NO2 and a molecular weight of 345.44 g/mol. Its IUPAC name is 2-[morpholin-4-yl-(4-phenylphenyl)methyl]phenol.

Molecular Properties

Compound Name2-[morpholin-4-yl-(4-phenylphenyl)methyl]phenol
PubChem CID102327495
Molecular FormulaC23H23NO2
Molecular Weight345.44 g/mol
Exact Mass345.17
IUPAC Name2-[morpholin-4-yl-(4-phenylphenyl)methyl]phenol
SMILESOc1ccccc1C(c1ccc(-c2ccccc2)cc1)N1CCOCC1
InChIInChI=1S/C23H23NO2/c25-22-9-5-4-8-21(22)23(24-14-16-26-17-15-24)20-12-10-19(11-13-20)18-6-2-1-3-7-18/h1-13,23,25H,14-17H2
InChIKeyZVPQQAPXEKMCEO-UHFFFAOYSA-N
XLogP4.48
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(S)-morpholin-4-yl(phenyl)methyl]phenol
CID 36690968
2-[(4-fluorophenyl)-morpholin-4-ylmethyl]phenol
CID 102355502
2-[morpholin-4-yl(phenyl)methyl]aniline
CID 160604739
6-[(S)-(4-fluorophenyl)-morpholin-4-ylmethyl]-1,3-benzodioxol-5-ol
CID 92857334
1-[(S)-morpholin-4-yl(phenyl)methyl]naphthalen-2-ol
CID 747708
3-morpholin-4-yl-1-(4-phenylphenyl)propan-1-ol
CID 3039644
2-(3-morpholin-4-yl-1-phenylpropyl)phenol
CID 567625
2-[[4-(4-methoxyphenyl)piperazin-1-yl]-phenylmethyl]phenol
CID 174990296
4-[1H-indol-3-yl(morpholin-4-yl)methyl]benzoic acid
CID 110453291
4-[bis(4-fluorophenyl)methyl]morpholine
CID 25146239
4-[(S)-(3-methylphenyl)-phenylmethyl]morpholine
CID 71608225
1-[(R)-(4-bromophenyl)-morpholin-4-ylmethyl]naphthalen-2-ol
CID 139082928

Frequently Asked Questions

What is the IUPAC name of 2-[morpholin-4-yl-(4-phenylphenyl)methyl]phenol?
The IUPAC name of 2-[morpholin-4-yl-(4-phenylphenyl)methyl]phenol (CID 102327495) is 2-[morpholin-4-yl-(4-phenylphenyl)methyl]phenol.
What is the SMILES notation for 2-[morpholin-4-yl-(4-phenylphenyl)methyl]phenol?
The canonical SMILES for 2-[morpholin-4-yl-(4-phenylphenyl)methyl]phenol is Oc1ccccc1C(c1ccc(-c2ccccc2)cc1)N1CCOCC1.
What is the InChIKey of 2-[morpholin-4-yl-(4-phenylphenyl)methyl]phenol?
The InChIKey is ZVPQQAPXEKMCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO2/c25-22-9-5-4-8-21(22)23(24-14-16-26-17-15-24)20-12-10-19(11-13-20)18-6-2-1-3-7-18/h1-13,23,25H,14-17H2.
What are the key properties of 2-[morpholin-4-yl-(4-phenylphenyl)methyl]phenol?
2-[morpholin-4-yl-(4-phenylphenyl)methyl]phenol has a molecular weight of 345.44 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[morpholin-4-yl-(4-phenylphenyl)methyl]phenol is sourced from PubChem (CID 102327495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).