cyclopropyl-[(2R)-2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]azanium

C16H24NO3+ — CID 7830788

IUPACcyclopropyl-[(2R)-2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]azanium
SMILESC/C=C/c1ccc(OC[C@H](O)C[NH2+]C2CC2)c(OC)c1
InChIInChI=1S/C16H23NO3/c1-3-4-12-5-8-15(16(9-12)19-2)20-11-14(18)10-17-13-6-7-13/h3-5,8-9,13-14,17-18H,6-7,10-11H2,1-2H3/p+1/b4-3+/t14-/m1/s1
InChIKeyVGVVAUJZAWKIOR-RDFMZFSFSA-O
MW278.37 g/mol
LogP1.19
Rot. Bonds8

About cyclopropyl-[(2R)-2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]azanium

cyclopropyl-[(2R)-2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]azanium (PubChem CID 7830788) has the molecular formula C16H24NO3+ and a molecular weight of 278.37 g/mol. Its IUPAC name is cyclopropyl-[(2R)-2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]azanium.

Molecular Properties

Compound Namecyclopropyl-[(2R)-2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]azanium
PubChem CID7830788
Molecular FormulaC16H24NO3+
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Namecyclopropyl-[(2R)-2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]azanium
SMILESC/C=C/c1ccc(OC[C@H](O)C[NH2+]C2CC2)c(OC)c1
InChIInChI=1S/C16H23NO3/c1-3-4-12-5-8-15(16(9-12)19-2)20-11-14(18)10-17-13-6-7-13/h3-5,8-9,13-14,17-18H,6-7,10-11H2,1-2H3/p+1/b4-3+/t14-/m1/s1
InChIKeyVGVVAUJZAWKIOR-RDFMZFSFSA-O
XLogP1.19
TPSA55.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze cyclopropyl-[(2R)-2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]azanium with MolForge

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Related Compounds

3-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]propane-1,2-diol
CID 20839076
[(2R)-1-hydroxybutan-2-yl]-[(2R)-2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]azanium
CID 7998341
(2R)-1-(azocan-1-ium-1-yl)-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propan-2-ol
CID 2510300
(3aR,7aR)-2-[(2R)-2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 129420701
1-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propan-2-ol
CID 24534341
1-[2-(hydroxymethyl)piperidin-1-yl]-3-(2-methoxy-4-prop-1-enylphenoxy)propan-2-ol;oxalic acid
CID 73243580
N-cyclopropyl-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 7973430
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propan-2-ol;dihydrochloride
CID 45283603
1-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-3-[methyl(3-phenylpropyl)amino]propan-2-ol
CID 55703546
3-[2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]quinazolin-4-one
CID 51283429
2-(2-methoxy-4-prop-1-enylphenoxy)-N,N-di(propan-2-yl)acetamide
CID 78766138
4-[2-[[2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]amino]ethoxy]-3-methoxybenzoic acid
CID 11144502

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(2R)-2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]azanium?
The IUPAC name of cyclopropyl-[(2R)-2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]azanium (CID 7830788) is cyclopropyl-[(2R)-2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]azanium.
What is the SMILES notation for cyclopropyl-[(2R)-2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]azanium?
The canonical SMILES for cyclopropyl-[(2R)-2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]azanium is C/C=C/c1ccc(OC[C@H](O)C[NH2+]C2CC2)c(OC)c1.
What is the InChIKey of cyclopropyl-[(2R)-2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]azanium?
The InChIKey is VGVVAUJZAWKIOR-RDFMZFSFSA-O. The full InChI is InChI=1S/C16H23NO3/c1-3-4-12-5-8-15(16(9-12)19-2)20-11-14(18)10-17-13-6-7-13/h3-5,8-9,13-14,17-18H,6-7,10-11H2,1-2H3/p+1/b4-3+/t14-/m1/s1.
What are the key properties of cyclopropyl-[(2R)-2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]azanium?
cyclopropyl-[(2R)-2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]azanium has a molecular weight of 278.37 g/mol, XLogP of 1.19, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(2R)-2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]azanium is sourced from PubChem (CID 7830788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).