6-[(E)-2-(1-propylpyridin-1-ium-4-yl)ethenyl]naphthalen-2-ol

C20H20NO+ — CID 71477992

IUPAC6-[(E)-2-(1-propylpyridin-1-ium-4-yl)ethenyl]naphthalen-2-ol
SMILESCCC[n+]1ccc(/C=C/c2ccc3cc(O)ccc3c2)cc1
InChIInChI=1S/C20H19NO/c1-2-11-21-12-9-16(10-13-21)3-4-17-5-6-19-15-20(22)8-7-18(19)14-17/h3-10,12-15H,2,11H2,1H3/p+1
InChIKeyQUOICUQGJZBNSY-UHFFFAOYSA-O
MW290.39 g/mol
LogP4.41
Rot. Bonds4

About 6-[(E)-2-(1-propylpyridin-1-ium-4-yl)ethenyl]naphthalen-2-ol

6-[(E)-2-(1-propylpyridin-1-ium-4-yl)ethenyl]naphthalen-2-ol (PubChem CID 71477992) has the molecular formula C20H20NO+ and a molecular weight of 290.39 g/mol. Its IUPAC name is 6-[(E)-2-(1-propylpyridin-1-ium-4-yl)ethenyl]naphthalen-2-ol.

Molecular Properties

Compound Name6-[(E)-2-(1-propylpyridin-1-ium-4-yl)ethenyl]naphthalen-2-ol
PubChem CID71477992
Molecular FormulaC20H20NO+
Molecular Weight290.39 g/mol
Exact Mass290.15
IUPAC Name6-[(E)-2-(1-propylpyridin-1-ium-4-yl)ethenyl]naphthalen-2-ol
SMILESCCC[n+]1ccc(/C=C/c2ccc3cc(O)ccc3c2)cc1
InChIInChI=1S/C20H19NO/c1-2-11-21-12-9-16(10-13-21)3-4-17-5-6-19-15-20(22)8-7-18(19)14-17/h3-10,12-15H,2,11H2,1H3/p+1
InChIKeyQUOICUQGJZBNSY-UHFFFAOYSA-O
XLogP4.41
TPSA24.11 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

4-[2-(1-nonylpyridin-1-ium-4-yl)ethenyl]phenol
CID 76565841
4-[(E)-2-(4-bromophenyl)ethenyl]-1-propylpyridin-1-ium
CID 824130
2-[4-[(E)-2-naphthalen-2-ylethenyl]pyridin-1-ium-1-yl]ethanamine
CID 23757809
1-butyl-4-[2-(1-butylpyridin-1-ium-4-yl)ethenyl]pyridin-1-ium
CID 85447470
2-[4-[2-[6-(diethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]ethyl-trimethylazanium
CID 2733606
trimethyl-[3-[4-[(E)-2-naphthalen-2-ylethenyl]pyridin-1-ium-1-yl]propyl]azanium dibromide
CID 6446702
ethyl 3-(6-hydroxynaphthalen-2-yl)prop-2-enoate
CID 131876701
butyl 3-(6-hydroxynaphthalen-2-yl)prop-2-enoate
CID 176901661
[4-[2-(1-octadecylpyridin-1-ium-4-yl)ethenyl]phenyl] acetate
CID 67809967
3-[4-[(E)-2-[6-(didodecylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]propyl-trimethylazanium dibromide
CID 6508716
bis(1,4-diethylbenzene);tris(naphthalen-2-ol)
CID 90749949
4-[(E)-2-(1-prop-2-enylpyridin-1-ium-4-yl)ethenyl]phenol bromide
CID 66868635

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-2-(1-propylpyridin-1-ium-4-yl)ethenyl]naphthalen-2-ol?
The IUPAC name of 6-[(E)-2-(1-propylpyridin-1-ium-4-yl)ethenyl]naphthalen-2-ol (CID 71477992) is 6-[(E)-2-(1-propylpyridin-1-ium-4-yl)ethenyl]naphthalen-2-ol.
What is the SMILES notation for 6-[(E)-2-(1-propylpyridin-1-ium-4-yl)ethenyl]naphthalen-2-ol?
The canonical SMILES for 6-[(E)-2-(1-propylpyridin-1-ium-4-yl)ethenyl]naphthalen-2-ol is CCC[n+]1ccc(/C=C/c2ccc3cc(O)ccc3c2)cc1.
What is the InChIKey of 6-[(E)-2-(1-propylpyridin-1-ium-4-yl)ethenyl]naphthalen-2-ol?
The InChIKey is QUOICUQGJZBNSY-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H19NO/c1-2-11-21-12-9-16(10-13-21)3-4-17-5-6-19-15-20(22)8-7-18(19)14-17/h3-10,12-15H,2,11H2,1H3/p+1.
What are the key properties of 6-[(E)-2-(1-propylpyridin-1-ium-4-yl)ethenyl]naphthalen-2-ol?
6-[(E)-2-(1-propylpyridin-1-ium-4-yl)ethenyl]naphthalen-2-ol has a molecular weight of 290.39 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-2-(1-propylpyridin-1-ium-4-yl)ethenyl]naphthalen-2-ol is sourced from PubChem (CID 71477992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).