3-phenyl-3-(8-phenylmethoxyquinolin-7-yl)propane-1,2-diol

C25H23NO3 — CID 66545727

IUPAC3-phenyl-3-(8-phenylmethoxyquinolin-7-yl)propane-1,2-diol
SMILESOCC(O)C(c1ccccc1)c1ccc2cccnc2c1OCc1ccccc1
InChIInChI=1S/C25H23NO3/c27-16-22(28)23(19-10-5-2-6-11-19)21-14-13-20-12-7-15-26-24(20)25(21)29-17-18-8-3-1-4-9-18/h1-15,22-23,27-28H,16-17H2
InChIKeyCKKSKFSNZQJWLU-UHFFFAOYSA-N
MW385.46 g/mol
LogP4.30
Rot. Bonds7

About 3-phenyl-3-(8-phenylmethoxyquinolin-7-yl)propane-1,2-diol

3-phenyl-3-(8-phenylmethoxyquinolin-7-yl)propane-1,2-diol (PubChem CID 66545727) has the molecular formula C25H23NO3 and a molecular weight of 385.46 g/mol. Its IUPAC name is 3-phenyl-3-(8-phenylmethoxyquinolin-7-yl)propane-1,2-diol.

Molecular Properties

Compound Name3-phenyl-3-(8-phenylmethoxyquinolin-7-yl)propane-1,2-diol
PubChem CID66545727
Molecular FormulaC25H23NO3
Molecular Weight385.46 g/mol
Exact Mass385.17
IUPAC Name3-phenyl-3-(8-phenylmethoxyquinolin-7-yl)propane-1,2-diol
SMILESOCC(O)C(c1ccccc1)c1ccc2cccnc2c1OCc1ccccc1
InChIInChI=1S/C25H23NO3/c27-16-22(28)23(19-10-5-2-6-11-19)21-14-13-20-12-7-15-26-24(20)25(21)29-17-18-8-3-1-4-9-18/h1-15,22-23,27-28H,16-17H2
InChIKeyCKKSKFSNZQJWLU-UHFFFAOYSA-N
XLogP4.30
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-methoxy-8-phenylmethoxyquinoline
CID 67057987
benzyl 8-phenylmethoxyquinoline-7-carboxylate
CID 77134381
2-(5-chloro-8-phenylmethoxyquinolin-7-yl)-2-[4-(morpholin-4-ylmethyl)phenyl]ethanol
CID 68862659
7-[amino(phenyl)methyl]quinolin-8-ol
CID 118080370
2-(8-benzylquinolin-7-yl)-1-phenylethanol
CID 143636594
7-[amino(phenyl)methyl]quinolin-8-amine
CID 174698736
1-(2-phenylmethoxyphenyl)propane-1,2,3-triol
CID 170819028
8-phenylmethoxyquinolin-6-amine
CID 22053377
1-(2-hydroxy-4-phenylmethoxyphenyl)propane-1,2,3-triol
CID 170819017
1-(5-chloroquinolin-8-yl)-2-phenylethanol
CID 112618238
bis(1,10-phenanthroline);ruthenium
CID 15001085
7-[(3-ethoxy-4-phenylmethoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
CID 2895088

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-3-(8-phenylmethoxyquinolin-7-yl)propane-1,2-diol?
The IUPAC name of 3-phenyl-3-(8-phenylmethoxyquinolin-7-yl)propane-1,2-diol (CID 66545727) is 3-phenyl-3-(8-phenylmethoxyquinolin-7-yl)propane-1,2-diol.
What is the SMILES notation for 3-phenyl-3-(8-phenylmethoxyquinolin-7-yl)propane-1,2-diol?
The canonical SMILES for 3-phenyl-3-(8-phenylmethoxyquinolin-7-yl)propane-1,2-diol is OCC(O)C(c1ccccc1)c1ccc2cccnc2c1OCc1ccccc1.
What is the InChIKey of 3-phenyl-3-(8-phenylmethoxyquinolin-7-yl)propane-1,2-diol?
The InChIKey is CKKSKFSNZQJWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO3/c27-16-22(28)23(19-10-5-2-6-11-19)21-14-13-20-12-7-15-26-24(20)25(21)29-17-18-8-3-1-4-9-18/h1-15,22-23,27-28H,16-17H2.
What are the key properties of 3-phenyl-3-(8-phenylmethoxyquinolin-7-yl)propane-1,2-diol?
3-phenyl-3-(8-phenylmethoxyquinolin-7-yl)propane-1,2-diol has a molecular weight of 385.46 g/mol, XLogP of 4.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-3-(8-phenylmethoxyquinolin-7-yl)propane-1,2-diol is sourced from PubChem (CID 66545727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).