5-methyl-4-(3-morpholin-4-ylpropyl)benzene-1,3-diol

C14H21NO3 — CID 170869328

IUPAC5-methyl-4-(3-morpholin-4-ylpropyl)benzene-1,3-diol
SMILESCc1cc(O)cc(O)c1CCCN1CCOCC1
InChIInChI=1S/C14H21NO3/c1-11-9-12(16)10-14(17)13(11)3-2-4-15-5-7-18-8-6-15/h9-10,16-17H,2-8H2,1H3
InChIKeyMUXXCEHEGJZJCY-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.67
Rot. Bonds4

About 5-methyl-4-(3-morpholin-4-ylpropyl)benzene-1,3-diol

5-methyl-4-(3-morpholin-4-ylpropyl)benzene-1,3-diol (PubChem CID 170869328) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-methyl-4-(3-morpholin-4-ylpropyl)benzene-1,3-diol.

Molecular Properties

Compound Name5-methyl-4-(3-morpholin-4-ylpropyl)benzene-1,3-diol
PubChem CID170869328
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name5-methyl-4-(3-morpholin-4-ylpropyl)benzene-1,3-diol
SMILESCc1cc(O)cc(O)c1CCCN1CCOCC1
InChIInChI=1S/C14H21NO3/c1-11-9-12(16)10-14(17)13(11)3-2-4-15-5-7-18-8-6-15/h9-10,16-17H,2-8H2,1H3
InChIKeyMUXXCEHEGJZJCY-UHFFFAOYSA-N
XLogP1.67
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3,5-dimethyl-2-(3-morpholin-4-ylpropyl)phenol
CID 170869854
3,5-difluoro-4-(3-morpholin-4-ylpropyl)phenol
CID 170869741
3-chloro-2-(3-morpholin-4-ylpropyl)phenol
CID 170869480
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
3-fluoro-4-(3-morpholin-4-ylpropyl)phenol
CID 170869738
2-[(4-methylpiperazin-1-yl)methyl]-4-(3-morpholin-4-ylpropyl)phenol
CID 170870620
4-[3-(2,5,7-trimethyl-1H-indol-3-yl)propyl]morpholine
CID 170871014
4-[3-(4-methylthiophen-2-yl)propyl]morpholine
CID 170871201
2,6-dibromo-4-(3-morpholin-4-ylpropyl)phenol
CID 170869303
4-[3-(4-bromo-2-methylphenyl)propyl]morpholine
CID 170870052
3-(2-morpholin-4-ylethyl)phenol
CID 82187913

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(3-morpholin-4-ylpropyl)benzene-1,3-diol?
The IUPAC name of 5-methyl-4-(3-morpholin-4-ylpropyl)benzene-1,3-diol (CID 170869328) is 5-methyl-4-(3-morpholin-4-ylpropyl)benzene-1,3-diol.
What is the SMILES notation for 5-methyl-4-(3-morpholin-4-ylpropyl)benzene-1,3-diol?
The canonical SMILES for 5-methyl-4-(3-morpholin-4-ylpropyl)benzene-1,3-diol is Cc1cc(O)cc(O)c1CCCN1CCOCC1.
What is the InChIKey of 5-methyl-4-(3-morpholin-4-ylpropyl)benzene-1,3-diol?
The InChIKey is MUXXCEHEGJZJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-11-9-12(16)10-14(17)13(11)3-2-4-15-5-7-18-8-6-15/h9-10,16-17H,2-8H2,1H3.
What are the key properties of 5-methyl-4-(3-morpholin-4-ylpropyl)benzene-1,3-diol?
5-methyl-4-(3-morpholin-4-ylpropyl)benzene-1,3-diol has a molecular weight of 251.33 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(3-morpholin-4-ylpropyl)benzene-1,3-diol is sourced from PubChem (CID 170869328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).