(2R)-3-[[3-(4-propylphenyl)-4,5-dihydrobenzo[g][2,1]benzoxazol-7-yl]oxy]propane-1,2-diol

C23H25NO4 — CID 53234306

IUPAC(2R)-3-[[3-(4-propylphenyl)-4,5-dihydrobenzo[g][2,1]benzoxazol-7-yl]oxy]propane-1,2-diol
SMILESCCCc1ccc(-c2onc3c2CCc2cc(OC[C@H](O)CO)ccc2-3)cc1
InChIInChI=1S/C23H25NO4/c1-2-3-15-4-6-16(7-5-15)23-21-10-8-17-12-19(27-14-18(26)13-25)9-11-20(17)22(21)24-28-23/h4-7,9,11-12,18,25-26H,2-3,8,10,13-14H2,1H3/t18-/m1/s1
InChIKeyUQBONDWUAKRGAZ-GOSISDBHSA-N
MW379.46 g/mol
LogP3.79
Rot. Bonds7

About (2R)-3-[[3-(4-propylphenyl)-4,5-dihydrobenzo[g][2,1]benzoxazol-7-yl]oxy]propane-1,2-diol

(2R)-3-[[3-(4-propylphenyl)-4,5-dihydrobenzo[g][2,1]benzoxazol-7-yl]oxy]propane-1,2-diol (PubChem CID 53234306) has the molecular formula C23H25NO4 and a molecular weight of 379.46 g/mol. Its IUPAC name is (2R)-3-[[3-(4-propylphenyl)-4,5-dihydrobenzo[g][2,1]benzoxazol-7-yl]oxy]propane-1,2-diol.

Molecular Properties

Compound Name(2R)-3-[[3-(4-propylphenyl)-4,5-dihydrobenzo[g][2,1]benzoxazol-7-yl]oxy]propane-1,2-diol
PubChem CID53234306
Molecular FormulaC23H25NO4
Molecular Weight379.46 g/mol
Exact Mass379.18
IUPAC Name(2R)-3-[[3-(4-propylphenyl)-4,5-dihydrobenzo[g][2,1]benzoxazol-7-yl]oxy]propane-1,2-diol
SMILESCCCc1ccc(-c2onc3c2CCc2cc(OC[C@H](O)CO)ccc2-3)cc1
InChIInChI=1S/C23H25NO4/c1-2-3-15-4-6-16(7-5-15)23-21-10-8-17-12-19(27-14-18(26)13-25)9-11-20(17)22(21)24-28-23/h4-7,9,11-12,18,25-26H,2-3,8,10,13-14H2,1H3/t18-/m1/s1
InChIKeyUQBONDWUAKRGAZ-GOSISDBHSA-N
XLogP3.79
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-[[3-(4-propylphenyl)-4,5-dihydrobenzo[g][2,1]benzoxazol-7-yl]oxy]propane-1,2-diol?
The IUPAC name of (2R)-3-[[3-(4-propylphenyl)-4,5-dihydrobenzo[g][2,1]benzoxazol-7-yl]oxy]propane-1,2-diol (CID 53234306) is (2R)-3-[[3-(4-propylphenyl)-4,5-dihydrobenzo[g][2,1]benzoxazol-7-yl]oxy]propane-1,2-diol.
What is the SMILES notation for (2R)-3-[[3-(4-propylphenyl)-4,5-dihydrobenzo[g][2,1]benzoxazol-7-yl]oxy]propane-1,2-diol?
The canonical SMILES for (2R)-3-[[3-(4-propylphenyl)-4,5-dihydrobenzo[g][2,1]benzoxazol-7-yl]oxy]propane-1,2-diol is CCCc1ccc(-c2onc3c2CCc2cc(OC[C@H](O)CO)ccc2-3)cc1.
What is the InChIKey of (2R)-3-[[3-(4-propylphenyl)-4,5-dihydrobenzo[g][2,1]benzoxazol-7-yl]oxy]propane-1,2-diol?
The InChIKey is UQBONDWUAKRGAZ-GOSISDBHSA-N. The full InChI is InChI=1S/C23H25NO4/c1-2-3-15-4-6-16(7-5-15)23-21-10-8-17-12-19(27-14-18(26)13-25)9-11-20(17)22(21)24-28-23/h4-7,9,11-12,18,25-26H,2-3,8,10,13-14H2,1H3/t18-/m1/s1.
What are the key properties of (2R)-3-[[3-(4-propylphenyl)-4,5-dihydrobenzo[g][2,1]benzoxazol-7-yl]oxy]propane-1,2-diol?
(2R)-3-[[3-(4-propylphenyl)-4,5-dihydrobenzo[g][2,1]benzoxazol-7-yl]oxy]propane-1,2-diol has a molecular weight of 379.46 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[[3-(4-propylphenyl)-4,5-dihydrobenzo[g][2,1]benzoxazol-7-yl]oxy]propane-1,2-diol is sourced from PubChem (CID 53234306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).