2-chloro-5-methyl-4-(4-morpholin-4-ylphenyl)phenol

C17H18ClNO2 — CID 137335517

IUPAC2-chloro-5-methyl-4-(4-morpholin-4-ylphenyl)phenol
SMILESCc1cc(O)c(Cl)cc1-c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C17H18ClNO2/c1-12-10-17(20)16(18)11-15(12)13-2-4-14(5-3-13)19-6-8-21-9-7-19/h2-5,10-11,20H,6-9H2,1H3
InChIKeyDYWRPOCEUDQOLT-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.86
Rot. Bonds2

About 2-chloro-5-methyl-4-(4-morpholin-4-ylphenyl)phenol

2-chloro-5-methyl-4-(4-morpholin-4-ylphenyl)phenol (PubChem CID 137335517) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is 2-chloro-5-methyl-4-(4-morpholin-4-ylphenyl)phenol.

Molecular Properties

Compound Name2-chloro-5-methyl-4-(4-morpholin-4-ylphenyl)phenol
PubChem CID137335517
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name2-chloro-5-methyl-4-(4-morpholin-4-ylphenyl)phenol
SMILESCc1cc(O)c(Cl)cc1-c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C17H18ClNO2/c1-12-10-17(20)16(18)11-15(12)13-2-4-14(5-3-13)19-6-8-21-9-7-19/h2-5,10-11,20H,6-9H2,1H3
InChIKeyDYWRPOCEUDQOLT-UHFFFAOYSA-N
XLogP3.86
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-4-(4-morpholin-4-ylphenyl)phenol?
The IUPAC name of 2-chloro-5-methyl-4-(4-morpholin-4-ylphenyl)phenol (CID 137335517) is 2-chloro-5-methyl-4-(4-morpholin-4-ylphenyl)phenol.
What is the SMILES notation for 2-chloro-5-methyl-4-(4-morpholin-4-ylphenyl)phenol?
The canonical SMILES for 2-chloro-5-methyl-4-(4-morpholin-4-ylphenyl)phenol is Cc1cc(O)c(Cl)cc1-c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-chloro-5-methyl-4-(4-morpholin-4-ylphenyl)phenol?
The InChIKey is DYWRPOCEUDQOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-12-10-17(20)16(18)11-15(12)13-2-4-14(5-3-13)19-6-8-21-9-7-19/h2-5,10-11,20H,6-9H2,1H3.
What are the key properties of 2-chloro-5-methyl-4-(4-morpholin-4-ylphenyl)phenol?
2-chloro-5-methyl-4-(4-morpholin-4-ylphenyl)phenol has a molecular weight of 303.79 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-4-(4-morpholin-4-ylphenyl)phenol is sourced from PubChem (CID 137335517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).