4-chloro-2-(morpholin-4-ylmethyl)-6-phenylphenol

C17H18ClNO2 — CID 23797967

IUPAC4-chloro-2-(morpholin-4-ylmethyl)-6-phenylphenol
SMILESOc1c(CN2CCOCC2)cc(Cl)cc1-c1ccccc1
InChIInChI=1S/C17H18ClNO2/c18-15-10-14(12-19-6-8-21-9-7-19)17(20)16(11-15)13-4-2-1-3-5-13/h1-5,10-11,20H,6-9,12H2
InChIKeyCUCGYQGNXIBPEG-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.54
Rot. Bonds3

About 4-chloro-2-(morpholin-4-ylmethyl)-6-phenylphenol

4-chloro-2-(morpholin-4-ylmethyl)-6-phenylphenol (PubChem CID 23797967) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is 4-chloro-2-(morpholin-4-ylmethyl)-6-phenylphenol.

Molecular Properties

Compound Name4-chloro-2-(morpholin-4-ylmethyl)-6-phenylphenol
PubChem CID23797967
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name4-chloro-2-(morpholin-4-ylmethyl)-6-phenylphenol
SMILESOc1c(CN2CCOCC2)cc(Cl)cc1-c1ccccc1
InChIInChI=1S/C17H18ClNO2/c18-15-10-14(12-19-6-8-21-9-7-19)17(20)16(11-15)13-4-2-1-3-5-13/h1-5,10-11,20H,6-9,12H2
InChIKeyCUCGYQGNXIBPEG-UHFFFAOYSA-N
XLogP3.54
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.54
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

3-(morpholin-4-ylmethyl)-2-phenylphenol
CID 174703576
4-(fluoren-9-ylidenemethyl)-2,6-bis(morpholin-4-ylmethyl)phenol
CID 16681691
5-[3-[(4-benzylpiperazin-1-yl)methyl]-4-hydroxy-5-(morpholin-4-ylmethyl)phenyl]dithiole-3-thione
CID 139657976
4-methyl-2,6-bis(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-ylmethyl)phenol
CID 10462009
3-amino-2,4,6-tris(morpholin-4-ylmethyl)phenol
CID 139658917
3,5-dichloro-N-[2-(morpholin-4-ylmethyl)phenyl]benzamide
CID 55898935
4-[(5-bromo-3-phenylthiophen-2-yl)methyl]morpholine
CID 825751
2-(morpholin-4-ylmethyl)-3-phenylbenzoic acid
CID 144848835
2,4-bis(morpholin-4-ylmethyl)-6-(1,4-oxazepan-4-ylmethyl)phenol
CID 144964322
2,6-bis(morpholin-4-ylmethyl)-4-propan-2-ylphenol
CID 3338042
5-amino-2-(morpholin-4-ylmethyl)phenol
CID 19799808
CID 131887032
CID 131887032

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(morpholin-4-ylmethyl)-6-phenylphenol?
The IUPAC name of 4-chloro-2-(morpholin-4-ylmethyl)-6-phenylphenol (CID 23797967) is 4-chloro-2-(morpholin-4-ylmethyl)-6-phenylphenol.
What is the SMILES notation for 4-chloro-2-(morpholin-4-ylmethyl)-6-phenylphenol?
The canonical SMILES for 4-chloro-2-(morpholin-4-ylmethyl)-6-phenylphenol is Oc1c(CN2CCOCC2)cc(Cl)cc1-c1ccccc1.
What is the InChIKey of 4-chloro-2-(morpholin-4-ylmethyl)-6-phenylphenol?
The InChIKey is CUCGYQGNXIBPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c18-15-10-14(12-19-6-8-21-9-7-19)17(20)16(11-15)13-4-2-1-3-5-13/h1-5,10-11,20H,6-9,12H2.
What are the key properties of 4-chloro-2-(morpholin-4-ylmethyl)-6-phenylphenol?
4-chloro-2-(morpholin-4-ylmethyl)-6-phenylphenol has a molecular weight of 303.79 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(morpholin-4-ylmethyl)-6-phenylphenol is sourced from PubChem (CID 23797967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).