4-chloro-3,5-dimethyl-2-(3-morpholin-4-ylpropyl)phenol

C15H22ClNO2 — CID 170869854

IUPAC4-chloro-3,5-dimethyl-2-(3-morpholin-4-ylpropyl)phenol
SMILESCc1cc(O)c(CCCN2CCOCC2)c(C)c1Cl
InChIInChI=1S/C15H22ClNO2/c1-11-10-14(18)13(12(2)15(11)16)4-3-5-17-6-8-19-9-7-17/h10,18H,3-9H2,1-2H3
InChIKeyJQLSELXHEOSHSL-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.93
Rot. Bonds4

About 4-chloro-3,5-dimethyl-2-(3-morpholin-4-ylpropyl)phenol

4-chloro-3,5-dimethyl-2-(3-morpholin-4-ylpropyl)phenol (PubChem CID 170869854) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 4-chloro-3,5-dimethyl-2-(3-morpholin-4-ylpropyl)phenol.

Molecular Properties

Compound Name4-chloro-3,5-dimethyl-2-(3-morpholin-4-ylpropyl)phenol
PubChem CID170869854
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name4-chloro-3,5-dimethyl-2-(3-morpholin-4-ylpropyl)phenol
SMILESCc1cc(O)c(CCCN2CCOCC2)c(C)c1Cl
InChIInChI=1S/C15H22ClNO2/c1-11-10-14(18)13(12(2)15(11)16)4-3-5-17-6-8-19-9-7-17/h10,18H,3-9H2,1-2H3
InChIKeyJQLSELXHEOSHSL-UHFFFAOYSA-N
XLogP2.93
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-4-(3-morpholin-4-ylpropyl)benzene-1,3-diol
CID 170869328
4-chloro-3,5-dimethyl-2-(2-piperazin-1-ylethyl)phenol
CID 82265416
4-[3-[3-chloro-6-(cyclopropylmethoxy)-2,4-dimethylphenyl]propyl]morpholine
CID 170870509
3-chloro-2-(3-morpholin-4-ylpropyl)phenol
CID 170869480
3,5-difluoro-4-(3-morpholin-4-ylpropyl)phenol
CID 170869741
4-ethoxy-3,5-dimethyl-2-(morpholin-4-ylmethyl)phenol
CID 134821290
4-[3-(4,6-dichloropyrimidin-5-yl)propyl]morpholine
CID 170871352
4-[3-[3,5-bis(3-morpholin-4-ylpropyl)phenyl]propyl]morpholine
CID 170870147
4-[3-(4,5-dimethylfuran-2-yl)propyl]morpholine
CID 170871309
2-[(4-methylpiperazin-1-yl)methyl]-4-(3-morpholin-4-ylpropyl)phenol
CID 170870620
4-[3-(5-chloro-2-methyl-1H-indol-3-yl)propyl]morpholine
CID 170871001
4-[3-(2,5,7-trimethyl-1H-indol-3-yl)propyl]morpholine
CID 170871014

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3,5-dimethyl-2-(3-morpholin-4-ylpropyl)phenol?
The IUPAC name of 4-chloro-3,5-dimethyl-2-(3-morpholin-4-ylpropyl)phenol (CID 170869854) is 4-chloro-3,5-dimethyl-2-(3-morpholin-4-ylpropyl)phenol.
What is the SMILES notation for 4-chloro-3,5-dimethyl-2-(3-morpholin-4-ylpropyl)phenol?
The canonical SMILES for 4-chloro-3,5-dimethyl-2-(3-morpholin-4-ylpropyl)phenol is Cc1cc(O)c(CCCN2CCOCC2)c(C)c1Cl.
What is the InChIKey of 4-chloro-3,5-dimethyl-2-(3-morpholin-4-ylpropyl)phenol?
The InChIKey is JQLSELXHEOSHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-11-10-14(18)13(12(2)15(11)16)4-3-5-17-6-8-19-9-7-17/h10,18H,3-9H2,1-2H3.
What are the key properties of 4-chloro-3,5-dimethyl-2-(3-morpholin-4-ylpropyl)phenol?
4-chloro-3,5-dimethyl-2-(3-morpholin-4-ylpropyl)phenol has a molecular weight of 283.80 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3,5-dimethyl-2-(3-morpholin-4-ylpropyl)phenol is sourced from PubChem (CID 170869854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).