[2-[(3-hydroxyphenyl)methyl]phenyl]methyl-dimethylazanium

C16H20NO+ — CID 6947779

IUPAC[2-[(3-hydroxyphenyl)methyl]phenyl]methyl-dimethylazanium
SMILESC[NH+](C)Cc1ccccc1Cc1cccc(O)c1
InChIInChI=1S/C16H19NO/c1-17(2)12-15-8-4-3-7-14(15)10-13-6-5-9-16(18)11-13/h3-9,11,18H,10,12H2,1-2H3/p+1
InChIKeyLECQEUZNUWBSGE-UHFFFAOYSA-O
MW242.34 g/mol
LogP1.63
Rot. Bonds4

About [2-[(3-hydroxyphenyl)methyl]phenyl]methyl-dimethylazanium

[2-[(3-hydroxyphenyl)methyl]phenyl]methyl-dimethylazanium (PubChem CID 6947779) has the molecular formula C16H20NO+ and a molecular weight of 242.34 g/mol. Its IUPAC name is [2-[(3-hydroxyphenyl)methyl]phenyl]methyl-dimethylazanium.

Molecular Properties

Compound Name[2-[(3-hydroxyphenyl)methyl]phenyl]methyl-dimethylazanium
PubChem CID6947779
Molecular FormulaC16H20NO+
Molecular Weight242.34 g/mol
Exact Mass242.15
IUPAC Name[2-[(3-hydroxyphenyl)methyl]phenyl]methyl-dimethylazanium
SMILESC[NH+](C)Cc1ccccc1Cc1cccc(O)c1
InChIInChI=1S/C16H19NO/c1-17(2)12-15-8-4-3-7-14(15)10-13-6-5-9-16(18)11-13/h3-9,11,18H,10,12H2,1-2H3/p+1
InChIKeyLECQEUZNUWBSGE-UHFFFAOYSA-O
XLogP1.63
TPSA24.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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ethyl 3-[2-[(3-hydroxyphenyl)methyl]phenyl]propanoate
CID 59684927
4-[(3-hydroxyphenyl)methyl]benzene-1,2,3-triol
CID 139940610
2-[2-(3-hydroxyphenyl)ethyl]phenol
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3-[2-[2-(2-methylphenyl)ethylamino]ethyl]phenol
CID 21152964
3-(2-methylprop-2-enyl)phenol
CID 91657296
3-[(4-propylphenyl)methyl]phenol
CID 67607655
3-[[2-(2-methylphenyl)ethylamino]methyl]phenol
CID 78910580
3-[(2-amino-4-methoxyphenyl)methyl]phenol
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3-[3-hydroxy-4-(methylamino)butyl]phenol
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Frequently Asked Questions

What is the IUPAC name of [2-[(3-hydroxyphenyl)methyl]phenyl]methyl-dimethylazanium?
The IUPAC name of [2-[(3-hydroxyphenyl)methyl]phenyl]methyl-dimethylazanium (CID 6947779) is [2-[(3-hydroxyphenyl)methyl]phenyl]methyl-dimethylazanium.
What is the SMILES notation for [2-[(3-hydroxyphenyl)methyl]phenyl]methyl-dimethylazanium?
The canonical SMILES for [2-[(3-hydroxyphenyl)methyl]phenyl]methyl-dimethylazanium is C[NH+](C)Cc1ccccc1Cc1cccc(O)c1.
What is the InChIKey of [2-[(3-hydroxyphenyl)methyl]phenyl]methyl-dimethylazanium?
The InChIKey is LECQEUZNUWBSGE-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H19NO/c1-17(2)12-15-8-4-3-7-14(15)10-13-6-5-9-16(18)11-13/h3-9,11,18H,10,12H2,1-2H3/p+1.
What are the key properties of [2-[(3-hydroxyphenyl)methyl]phenyl]methyl-dimethylazanium?
[2-[(3-hydroxyphenyl)methyl]phenyl]methyl-dimethylazanium has a molecular weight of 242.34 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-hydroxyphenyl)methyl]phenyl]methyl-dimethylazanium is sourced from PubChem (CID 6947779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).