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

C18H16N2O3 — CID 122531757

IUPAC4-[6-amino-5-(4-hydroxyphenyl)-4-methoxy-3-pyridinyl]phenol
SMILESCOc1c(-c2ccc(O)cc2)cnc(N)c1-c1ccc(O)cc1
InChIInChI=1S/C18H16N2O3/c1-23-17-15(11-2-6-13(21)7-3-11)10-20-18(19)16(17)12-4-8-14(22)9-5-12/h2-10,21-22H,1H3,(H2,19,20)
InChIKeyCEIIFVDTIRGHGU-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.42
Rot. Bonds3

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

4-[6-amino-5-(4-hydroxyphenyl)-4-methoxy-3-pyridinyl]phenol (PubChem CID 122531757) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 4-[6-amino-5-(4-hydroxyphenyl)-4-methoxy-3-pyridinyl]phenol.

Molecular Properties

Compound Name4-[6-amino-5-(4-hydroxyphenyl)-4-methoxy-3-pyridinyl]phenol
PubChem CID122531757
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name4-[6-amino-5-(4-hydroxyphenyl)-4-methoxy-3-pyridinyl]phenol
SMILESCOc1c(-c2ccc(O)cc2)cnc(N)c1-c1ccc(O)cc1
InChIInChI=1S/C18H16N2O3/c1-23-17-15(11-2-6-13(21)7-3-11)10-20-18(19)16(17)12-4-8-14(22)9-5-12/h2-10,21-22H,1H3,(H2,19,20)
InChIKeyCEIIFVDTIRGHGU-UHFFFAOYSA-N
XLogP3.42
TPSA88.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-amino-5-(4-hydroxyphenyl)-4-methoxy-3-pyridinyl]phenol?
The IUPAC name of 4-[6-amino-5-(4-hydroxyphenyl)-4-methoxy-3-pyridinyl]phenol (CID 122531757) is 4-[6-amino-5-(4-hydroxyphenyl)-4-methoxy-3-pyridinyl]phenol.
What is the SMILES notation for 4-[6-amino-5-(4-hydroxyphenyl)-4-methoxy-3-pyridinyl]phenol?
The canonical SMILES for 4-[6-amino-5-(4-hydroxyphenyl)-4-methoxy-3-pyridinyl]phenol is COc1c(-c2ccc(O)cc2)cnc(N)c1-c1ccc(O)cc1.
What is the InChIKey of 4-[6-amino-5-(4-hydroxyphenyl)-4-methoxy-3-pyridinyl]phenol?
The InChIKey is CEIIFVDTIRGHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-23-17-15(11-2-6-13(21)7-3-11)10-20-18(19)16(17)12-4-8-14(22)9-5-12/h2-10,21-22H,1H3,(H2,19,20).
What are the key properties of 4-[6-amino-5-(4-hydroxyphenyl)-4-methoxy-3-pyridinyl]phenol?
4-[6-amino-5-(4-hydroxyphenyl)-4-methoxy-3-pyridinyl]phenol has a molecular weight of 308.34 g/mol, XLogP of 3.42, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-amino-5-(4-hydroxyphenyl)-4-methoxy-3-pyridinyl]phenol is sourced from PubChem (CID 122531757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).