1-(2-methoxy-4-prop-2-enylphenoxy)-1-(propan-2-ylamino)propan-2-ol

C16H25NO3 — CID 146423827

IUPAC1-(2-methoxy-4-prop-2-enylphenoxy)-1-(propan-2-ylamino)propan-2-ol
SMILESC=CCc1ccc(OC(NC(C)C)C(C)O)c(OC)c1
InChIInChI=1S/C16H25NO3/c1-6-7-13-8-9-14(15(10-13)19-5)20-16(12(4)18)17-11(2)3/h6,8-12,16-18H,1,7H2,2-5H3
InChIKeySETLFMYIFBQSIW-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.51
Rot. Bonds8

About 1-(2-methoxy-4-prop-2-enylphenoxy)-1-(propan-2-ylamino)propan-2-ol

1-(2-methoxy-4-prop-2-enylphenoxy)-1-(propan-2-ylamino)propan-2-ol (PubChem CID 146423827) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-(2-methoxy-4-prop-2-enylphenoxy)-1-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-methoxy-4-prop-2-enylphenoxy)-1-(propan-2-ylamino)propan-2-ol
PubChem CID146423827
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name1-(2-methoxy-4-prop-2-enylphenoxy)-1-(propan-2-ylamino)propan-2-ol
SMILESC=CCc1ccc(OC(NC(C)C)C(C)O)c(OC)c1
InChIInChI=1S/C16H25NO3/c1-6-7-13-8-9-14(15(10-13)19-5)20-16(12(4)18)17-11(2)3/h6,8-12,16-18H,1,7H2,2-5H3
InChIKeySETLFMYIFBQSIW-UHFFFAOYSA-N
XLogP2.51
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-1-propan-2-yloxy-4-prop-2-enylbenzene
CID 57350376
1,2-dimethoxy-4-prop-2-enylbenzene;ethane
CID 143927430
(2-methoxy-4-prop-2-enylphenoxy)phosphane
CID 155424724
2-(2-methoxy-4-prop-2-enylphenoxy)ethene-1,1-diol
CID 146301981
bis(2-methoxy-4-prop-2-enylphenyl) pentanedioate
CID 139030994
(2-methoxy-4-prop-2-enylphenyl) (2R)-2-methylbutanoate
CID 93483199
2-methoxy-1-[6-(2-methoxy-4-prop-2-enylphenoxy)hexoxy]-4-prop-2-enylbenzene
CID 19906474
(2-methoxy-4-prop-2-enylphenyl) formate
CID 24835
2-methoxy-1-prop-2-enoxy-4-prop-2-enylbenzene;2-methoxy-4-prop-2-enylphenol
CID 160676628
2-methoxy-4-prop-2-enylphenol;hydroiodide
CID 172782314
CID 69284850
CID 69284850
2-hydroxy-4-(2-methoxy-4-prop-2-enylphenoxy)-4-oxobutanoic acid
CID 67325524

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4-prop-2-enylphenoxy)-1-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-(2-methoxy-4-prop-2-enylphenoxy)-1-(propan-2-ylamino)propan-2-ol (CID 146423827) is 1-(2-methoxy-4-prop-2-enylphenoxy)-1-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(2-methoxy-4-prop-2-enylphenoxy)-1-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(2-methoxy-4-prop-2-enylphenoxy)-1-(propan-2-ylamino)propan-2-ol is C=CCc1ccc(OC(NC(C)C)C(C)O)c(OC)c1.
What is the InChIKey of 1-(2-methoxy-4-prop-2-enylphenoxy)-1-(propan-2-ylamino)propan-2-ol?
The InChIKey is SETLFMYIFBQSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-6-7-13-8-9-14(15(10-13)19-5)20-16(12(4)18)17-11(2)3/h6,8-12,16-18H,1,7H2,2-5H3.
What are the key properties of 1-(2-methoxy-4-prop-2-enylphenoxy)-1-(propan-2-ylamino)propan-2-ol?
1-(2-methoxy-4-prop-2-enylphenoxy)-1-(propan-2-ylamino)propan-2-ol has a molecular weight of 279.38 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4-prop-2-enylphenoxy)-1-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 146423827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).