4-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]phenol

C19H18N2O2 — CID 122531737

IUPAC4-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]phenol
SMILESCCc1c(-c2ccc(O)cc2)cnc(N)c1-c1ccc(O)cc1
InChIInChI=1S/C19H18N2O2/c1-2-16-17(12-3-7-14(22)8-4-12)11-21-19(20)18(16)13-5-9-15(23)10-6-13/h3-11,22-23H,2H2,1H3,(H2,20,21)
InChIKeyYBTWUDMFWKOPHT-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.97
Rot. Bonds3

About 4-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]phenol

4-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]phenol (PubChem CID 122531737) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 4-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]phenol.

Molecular Properties

Compound Name4-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]phenol
PubChem CID122531737
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name4-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]phenol
SMILESCCc1c(-c2ccc(O)cc2)cnc(N)c1-c1ccc(O)cc1
InChIInChI=1S/C19H18N2O2/c1-2-16-17(12-3-7-14(22)8-4-12)11-21-19(20)18(16)13-5-9-15(23)10-6-13/h3-11,22-23H,2H2,1H3,(H2,20,21)
InChIKeyYBTWUDMFWKOPHT-UHFFFAOYSA-N
XLogP3.97
TPSA79.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]phenol?
The IUPAC name of 4-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]phenol (CID 122531737) is 4-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]phenol.
What is the SMILES notation for 4-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]phenol?
The canonical SMILES for 4-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]phenol is CCc1c(-c2ccc(O)cc2)cnc(N)c1-c1ccc(O)cc1.
What is the InChIKey of 4-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]phenol?
The InChIKey is YBTWUDMFWKOPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-2-16-17(12-3-7-14(22)8-4-12)11-21-19(20)18(16)13-5-9-15(23)10-6-13/h3-11,22-23H,2H2,1H3,(H2,20,21).
What are the key properties of 4-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]phenol?
4-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]phenol has a molecular weight of 306.37 g/mol, XLogP of 3.97, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]phenol is sourced from PubChem (CID 122531737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).