2-[4-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)phenoxy]-2-phenylpropan-1-ol

C25H27NO2 — CID 21408014

IUPAC2-[4-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)phenoxy]-2-phenylpropan-1-ol
SMILESCN1CCC(c2ccc(OC(C)(CO)c3ccccc3)cc2)c2ccccc21
InChIInChI=1S/C25H27NO2/c1-25(18-27,20-8-4-3-5-9-20)28-21-14-12-19(13-15-21)22-16-17-26(2)24-11-7-6-10-23(22)24/h3-15,22,27H,16-18H2,1-2H3
InChIKeyNOFLUGPWJJQXAB-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.94
Rot. Bonds5

About 2-[4-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)phenoxy]-2-phenylpropan-1-ol

2-[4-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)phenoxy]-2-phenylpropan-1-ol (PubChem CID 21408014) has the molecular formula C25H27NO2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 2-[4-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)phenoxy]-2-phenylpropan-1-ol.

Molecular Properties

Compound Name2-[4-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)phenoxy]-2-phenylpropan-1-ol
PubChem CID21408014
Molecular FormulaC25H27NO2
Molecular Weight373.50 g/mol
Exact Mass373.20
IUPAC Name2-[4-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)phenoxy]-2-phenylpropan-1-ol
SMILESCN1CCC(c2ccc(OC(C)(CO)c3ccccc3)cc2)c2ccccc21
InChIInChI=1S/C25H27NO2/c1-25(18-27,20-8-4-3-5-9-20)28-21-14-12-19(13-15-21)22-16-17-26(2)24-11-7-6-10-23(22)24/h3-15,22,27H,16-18H2,1-2H3
InChIKeyNOFLUGPWJJQXAB-UHFFFAOYSA-N
XLogP4.94
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)phenoxy]-2-phenylpropan-1-ol?
The IUPAC name of 2-[4-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)phenoxy]-2-phenylpropan-1-ol (CID 21408014) is 2-[4-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)phenoxy]-2-phenylpropan-1-ol.
What is the SMILES notation for 2-[4-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)phenoxy]-2-phenylpropan-1-ol?
The canonical SMILES for 2-[4-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)phenoxy]-2-phenylpropan-1-ol is CN1CCC(c2ccc(OC(C)(CO)c3ccccc3)cc2)c2ccccc21.
What is the InChIKey of 2-[4-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)phenoxy]-2-phenylpropan-1-ol?
The InChIKey is NOFLUGPWJJQXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO2/c1-25(18-27,20-8-4-3-5-9-20)28-21-14-12-19(13-15-21)22-16-17-26(2)24-11-7-6-10-23(22)24/h3-15,22,27H,16-18H2,1-2H3.
What are the key properties of 2-[4-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)phenoxy]-2-phenylpropan-1-ol?
2-[4-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)phenoxy]-2-phenylpropan-1-ol has a molecular weight of 373.50 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)phenoxy]-2-phenylpropan-1-ol is sourced from PubChem (CID 21408014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).