N-ethylaniline;4-phenylphenol

C20H21NO — CID 174974376

IUPACN-ethylaniline;4-phenylphenol
SMILESCCNc1ccccc1.Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10O.C8H11N/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;1-2-9-8-6-4-3-5-7-8/h1-9,13H;3-7,9H,2H2,1H3
InChIKeyFYIZKBRJMFIYMT-UHFFFAOYSA-N
MW291.39 g/mol
LogP5.18
Rot. Bonds3

About N-ethylaniline;4-phenylphenol

N-ethylaniline;4-phenylphenol (PubChem CID 174974376) has the molecular formula C20H21NO and a molecular weight of 291.39 g/mol. Its IUPAC name is N-ethylaniline;4-phenylphenol.

Molecular Properties

Compound NameN-ethylaniline;4-phenylphenol
PubChem CID174974376
Molecular FormulaC20H21NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC NameN-ethylaniline;4-phenylphenol
SMILESCCNc1ccccc1.Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10O.C8H11N/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;1-2-9-8-6-4-3-5-7-8/h1-9,13H;3-7,9H,2H2,1H3
InChIKeyFYIZKBRJMFIYMT-UHFFFAOYSA-N
XLogP5.18
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.39
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethylaniline;4-phenylphenol?
The IUPAC name of N-ethylaniline;4-phenylphenol (CID 174974376) is N-ethylaniline;4-phenylphenol.
What is the SMILES notation for N-ethylaniline;4-phenylphenol?
The canonical SMILES for N-ethylaniline;4-phenylphenol is CCNc1ccccc1.Oc1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-ethylaniline;4-phenylphenol?
The InChIKey is FYIZKBRJMFIYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O.C8H11N/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;1-2-9-8-6-4-3-5-7-8/h1-9,13H;3-7,9H,2H2,1H3.
What are the key properties of N-ethylaniline;4-phenylphenol?
N-ethylaniline;4-phenylphenol has a molecular weight of 291.39 g/mol, XLogP of 5.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylaniline;4-phenylphenol is sourced from PubChem (CID 174974376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).