2-[2-(1H-benzo[de]quinolin-4-yl)phenyl]propan-2-ol

C21H19NO — CID 130444702

IUPAC2-[2-(1H-benzo[de]quinolin-4-yl)phenyl]propan-2-ol
SMILESCC(C)(O)c1ccccc1-c1ccc2cccc3c2c1C=CN3
InChIInChI=1S/C21H19NO/c1-21(2,23)18-8-4-3-7-16(18)15-11-10-14-6-5-9-19-20(14)17(15)12-13-22-19/h3-13,22-23H,1-2H3
InChIKeyMXGJILHBZABUOL-UHFFFAOYSA-N
MW301.39 g/mol
LogP5.13
Rot. Bonds2

About 2-[2-(1H-benzo[de]quinolin-4-yl)phenyl]propan-2-ol

2-[2-(1H-benzo[de]quinolin-4-yl)phenyl]propan-2-ol (PubChem CID 130444702) has the molecular formula C21H19NO and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[2-(1H-benzo[de]quinolin-4-yl)phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[2-(1H-benzo[de]quinolin-4-yl)phenyl]propan-2-ol
PubChem CID130444702
Molecular FormulaC21H19NO
Molecular Weight301.39 g/mol
Exact Mass301.15
IUPAC Name2-[2-(1H-benzo[de]quinolin-4-yl)phenyl]propan-2-ol
SMILESCC(C)(O)c1ccccc1-c1ccc2cccc3c2c1C=CN3
InChIInChI=1S/C21H19NO/c1-21(2,23)18-8-4-3-7-16(18)15-11-10-14-6-5-9-19-20(14)17(15)12-13-22-19/h3-13,22-23H,1-2H3
InChIKeyMXGJILHBZABUOL-UHFFFAOYSA-N
XLogP5.13
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.39
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1H-benzo[de]quinolin-4-ol
CID 91044131
2-[5-fluoranthen-3-yl-4-(2-hydroxypropan-2-yl)-2-naphthalen-1-ylphenyl]propan-2-ol
CID 58261454
2-[2-(1,1-difluoroethyl)phenyl]propan-2-ol
CID 84669438
2-[2-(5-methyl-1H-pyrazol-3-yl)phenyl]propan-2-ol
CID 15881028
2-[2-(9-azatetracyclo[8.8.0.02,8.012,17]octadeca-1(18),2(8),3,6,10,12,14,16-octaen-11-yl)phenyl]propan-2-ol
CID 145199002
9-tert-butyl-3H-cyclopenta[a]naphthalene
CID 148527121
2-[2-(9-methoxydibenzofuran-4-yl)phenyl]propan-2-ol
CID 169035329
2-[2-(1,2-dihydroacenaphthylen-5-yl)-4-(2-hydroxypropan-2-yl)-5-pyren-1-ylphenyl]propan-2-ol
CID 58261444
2-[2-(9,10-diphenylanthracen-2-yl)-4-(2-hydroxypropan-2-yl)-5-pyren-1-ylphenyl]propan-2-ol
CID 58261371
1-tert-butyl-2-(2-tert-butylphenyl)benzene;phosphane
CID 67329738
2-(3-phenylnaphthalen-2-yl)propan-2-ol
CID 59806754
2-(2-chlorophenyl)propan-2-ol
CID 12759846

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-benzo[de]quinolin-4-yl)phenyl]propan-2-ol?
The IUPAC name of 2-[2-(1H-benzo[de]quinolin-4-yl)phenyl]propan-2-ol (CID 130444702) is 2-[2-(1H-benzo[de]quinolin-4-yl)phenyl]propan-2-ol.
What is the SMILES notation for 2-[2-(1H-benzo[de]quinolin-4-yl)phenyl]propan-2-ol?
The canonical SMILES for 2-[2-(1H-benzo[de]quinolin-4-yl)phenyl]propan-2-ol is CC(C)(O)c1ccccc1-c1ccc2cccc3c2c1C=CN3.
What is the InChIKey of 2-[2-(1H-benzo[de]quinolin-4-yl)phenyl]propan-2-ol?
The InChIKey is MXGJILHBZABUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO/c1-21(2,23)18-8-4-3-7-16(18)15-11-10-14-6-5-9-19-20(14)17(15)12-13-22-19/h3-13,22-23H,1-2H3.
What are the key properties of 2-[2-(1H-benzo[de]quinolin-4-yl)phenyl]propan-2-ol?
2-[2-(1H-benzo[de]quinolin-4-yl)phenyl]propan-2-ol has a molecular weight of 301.39 g/mol, XLogP of 5.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-benzo[de]quinolin-4-yl)phenyl]propan-2-ol is sourced from PubChem (CID 130444702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).