6-[4-(2-methyl-1-pyridin-4-ylprop-1-enyl)phenyl]naphthalen-2-ol

C25H21NO — CID 46854760

IUPAC6-[4-(2-methyl-1-pyridin-4-ylprop-1-enyl)phenyl]naphthalen-2-ol
SMILESCC(C)=C(c1ccncc1)c1ccc(-c2ccc3cc(O)ccc3c2)cc1
InChIInChI=1S/C25H21NO/c1-17(2)25(20-11-13-26-14-12-20)19-5-3-18(4-6-19)21-7-8-23-16-24(27)10-9-22(23)15-21/h3-16,27H,1-2H3
InChIKeyCNWICPKRBQBLMF-UHFFFAOYSA-N
MW351.45 g/mol
LogP6.45
Rot. Bonds3

About 6-[4-(2-methyl-1-pyridin-4-ylprop-1-enyl)phenyl]naphthalen-2-ol

6-[4-(2-methyl-1-pyridin-4-ylprop-1-enyl)phenyl]naphthalen-2-ol (PubChem CID 46854760) has the molecular formula C25H21NO and a molecular weight of 351.45 g/mol. Its IUPAC name is 6-[4-(2-methyl-1-pyridin-4-ylprop-1-enyl)phenyl]naphthalen-2-ol.

Molecular Properties

Compound Name6-[4-(2-methyl-1-pyridin-4-ylprop-1-enyl)phenyl]naphthalen-2-ol
PubChem CID46854760
Molecular FormulaC25H21NO
Molecular Weight351.45 g/mol
Exact Mass351.16
IUPAC Name6-[4-(2-methyl-1-pyridin-4-ylprop-1-enyl)phenyl]naphthalen-2-ol
SMILESCC(C)=C(c1ccncc1)c1ccc(-c2ccc3cc(O)ccc3c2)cc1
InChIInChI=1S/C25H21NO/c1-17(2)25(20-11-13-26-14-12-20)19-5-3-18(4-6-19)21-7-8-23-16-24(27)10-9-22(23)15-21/h3-16,27H,1-2H3
InChIKeyCNWICPKRBQBLMF-UHFFFAOYSA-N
XLogP6.45
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.45
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-methyl-1-pyridin-4-ylprop-1-enyl)phenyl]naphthalen-2-ol?
The IUPAC name of 6-[4-(2-methyl-1-pyridin-4-ylprop-1-enyl)phenyl]naphthalen-2-ol (CID 46854760) is 6-[4-(2-methyl-1-pyridin-4-ylprop-1-enyl)phenyl]naphthalen-2-ol.
What is the SMILES notation for 6-[4-(2-methyl-1-pyridin-4-ylprop-1-enyl)phenyl]naphthalen-2-ol?
The canonical SMILES for 6-[4-(2-methyl-1-pyridin-4-ylprop-1-enyl)phenyl]naphthalen-2-ol is CC(C)=C(c1ccncc1)c1ccc(-c2ccc3cc(O)ccc3c2)cc1.
What is the InChIKey of 6-[4-(2-methyl-1-pyridin-4-ylprop-1-enyl)phenyl]naphthalen-2-ol?
The InChIKey is CNWICPKRBQBLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO/c1-17(2)25(20-11-13-26-14-12-20)19-5-3-18(4-6-19)21-7-8-23-16-24(27)10-9-22(23)15-21/h3-16,27H,1-2H3.
What are the key properties of 6-[4-(2-methyl-1-pyridin-4-ylprop-1-enyl)phenyl]naphthalen-2-ol?
6-[4-(2-methyl-1-pyridin-4-ylprop-1-enyl)phenyl]naphthalen-2-ol has a molecular weight of 351.45 g/mol, XLogP of 6.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-methyl-1-pyridin-4-ylprop-1-enyl)phenyl]naphthalen-2-ol is sourced from PubChem (CID 46854760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).