3-(dimethylamino)-4-[(2S)-oct-7-en-2-yl]oxyphenol

C16H25NO2 — CID 68572541

IUPAC3-(dimethylamino)-4-[(2S)-oct-7-en-2-yl]oxyphenol
SMILESC=CCCCC[C@H](C)Oc1ccc(O)cc1N(C)C
InChIInChI=1S/C16H25NO2/c1-5-6-7-8-9-13(2)19-16-11-10-14(18)12-15(16)17(3)4/h5,10-13,18H,1,6-9H2,2-4H3/t13-/m0/s1
InChIKeyWLYOHMPRIQGFRX-ZDUSSCGKSA-N
MW263.38 g/mol
LogP3.97
Rot. Bonds8

About 3-(dimethylamino)-4-[(2S)-oct-7-en-2-yl]oxyphenol

3-(dimethylamino)-4-[(2S)-oct-7-en-2-yl]oxyphenol (PubChem CID 68572541) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-(dimethylamino)-4-[(2S)-oct-7-en-2-yl]oxyphenol.

Molecular Properties

Compound Name3-(dimethylamino)-4-[(2S)-oct-7-en-2-yl]oxyphenol
PubChem CID68572541
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name3-(dimethylamino)-4-[(2S)-oct-7-en-2-yl]oxyphenol
SMILESC=CCCCC[C@H](C)Oc1ccc(O)cc1N(C)C
InChIInChI=1S/C16H25NO2/c1-5-6-7-8-9-13(2)19-16-11-10-14(18)12-15(16)17(3)4/h5,10-13,18H,1,6-9H2,2-4H3/t13-/m0/s1
InChIKeyWLYOHMPRIQGFRX-ZDUSSCGKSA-N
XLogP3.97
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-4-[(2S)-oct-7-en-2-yl]oxyphenol?
The IUPAC name of 3-(dimethylamino)-4-[(2S)-oct-7-en-2-yl]oxyphenol (CID 68572541) is 3-(dimethylamino)-4-[(2S)-oct-7-en-2-yl]oxyphenol.
What is the SMILES notation for 3-(dimethylamino)-4-[(2S)-oct-7-en-2-yl]oxyphenol?
The canonical SMILES for 3-(dimethylamino)-4-[(2S)-oct-7-en-2-yl]oxyphenol is C=CCCCC[C@H](C)Oc1ccc(O)cc1N(C)C.
What is the InChIKey of 3-(dimethylamino)-4-[(2S)-oct-7-en-2-yl]oxyphenol?
The InChIKey is WLYOHMPRIQGFRX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H25NO2/c1-5-6-7-8-9-13(2)19-16-11-10-14(18)12-15(16)17(3)4/h5,10-13,18H,1,6-9H2,2-4H3/t13-/m0/s1.
What are the key properties of 3-(dimethylamino)-4-[(2S)-oct-7-en-2-yl]oxyphenol?
3-(dimethylamino)-4-[(2S)-oct-7-en-2-yl]oxyphenol has a molecular weight of 263.38 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-4-[(2S)-oct-7-en-2-yl]oxyphenol is sourced from PubChem (CID 68572541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).