[2-[(S)-hydroxy(phenyl)methyl]phenyl]methyl-dimethylazanium

C16H20NO+ — CID 7047360

IUPAC[2-[(S)-hydroxy(phenyl)methyl]phenyl]methyl-dimethylazanium
SMILESC[NH+](C)Cc1ccccc1[C@@H](O)c1ccccc1
InChIInChI=1S/C16H19NO/c1-17(2)12-14-10-6-7-11-15(14)16(18)13-8-4-3-5-9-13/h3-11,16,18H,12H2,1-2H3/p+1/t16-/m0/s1
InChIKeyOBNXQHGFWUMHCO-INIZCTEOSA-O
MW242.34 g/mol
LogP1.41
Rot. Bonds4

About [2-[(S)-hydroxy(phenyl)methyl]phenyl]methyl-dimethylazanium

[2-[(S)-hydroxy(phenyl)methyl]phenyl]methyl-dimethylazanium (PubChem CID 7047360) has the molecular formula C16H20NO+ and a molecular weight of 242.34 g/mol. Its IUPAC name is [2-[(S)-hydroxy(phenyl)methyl]phenyl]methyl-dimethylazanium.

Molecular Properties

Compound Name[2-[(S)-hydroxy(phenyl)methyl]phenyl]methyl-dimethylazanium
PubChem CID7047360
Molecular FormulaC16H20NO+
Molecular Weight242.34 g/mol
Exact Mass242.15
IUPAC Name[2-[(S)-hydroxy(phenyl)methyl]phenyl]methyl-dimethylazanium
SMILESC[NH+](C)Cc1ccccc1[C@@H](O)c1ccccc1
InChIInChI=1S/C16H19NO/c1-17(2)12-14-10-6-7-11-15(14)16(18)13-8-4-3-5-9-13/h3-11,16,18H,12H2,1-2H3/p+1/t16-/m0/s1
InChIKeyOBNXQHGFWUMHCO-INIZCTEOSA-O
XLogP1.41
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 ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(R)-[2-[(dimethylamino)methyl]phenyl]-phenylmethanol
CID 2054209
(S)-[2-(2-methylpropyl)phenyl]-phenylmethanol
CID 125467044
(R)-[2-[(S)-hydroxy(phenyl)methyl]phenyl]-phenylmethanol
CID 92542463
[2-[8-(furan-2-yl)octyl]phenyl]-phenylmethanol
CID 54455854
[2-[[tert-butyl(diphenyl)silyl]oxymethyl]phenyl]-phenylmethanol
CID 102217007
2-[2-amino-3-[hydroxy(phenyl)methyl]phenyl]acetic acid;hydrate
CID 160922205
(3-bromophenyl)-(2-ethylphenyl)methanol
CID 91657859
(2-tert-butylphenyl)-phenylmethanol
CID 19438357
[2-[2-[hydroxy(phenyl)methyl]-N-[2-[hydroxy(phenyl)methyl]phenyl]anilino]phenyl]-phenylmethanol
CID 132774417
phenyl-[2-(trideuteriomethoxy)phenyl]methanol
CID 101015641
(2-ethylphenyl)-(3-methoxyphenyl)methanol
CID 63900317
(S)-[3-[(R)-hydroxy(phenyl)methyl]phenyl]-phenylmethanol
CID 92542470

Frequently Asked Questions

What is the IUPAC name of [2-[(S)-hydroxy(phenyl)methyl]phenyl]methyl-dimethylazanium?
The IUPAC name of [2-[(S)-hydroxy(phenyl)methyl]phenyl]methyl-dimethylazanium (CID 7047360) is [2-[(S)-hydroxy(phenyl)methyl]phenyl]methyl-dimethylazanium.
What is the SMILES notation for [2-[(S)-hydroxy(phenyl)methyl]phenyl]methyl-dimethylazanium?
The canonical SMILES for [2-[(S)-hydroxy(phenyl)methyl]phenyl]methyl-dimethylazanium is C[NH+](C)Cc1ccccc1[C@@H](O)c1ccccc1.
What is the InChIKey of [2-[(S)-hydroxy(phenyl)methyl]phenyl]methyl-dimethylazanium?
The InChIKey is OBNXQHGFWUMHCO-INIZCTEOSA-O. The full InChI is InChI=1S/C16H19NO/c1-17(2)12-14-10-6-7-11-15(14)16(18)13-8-4-3-5-9-13/h3-11,16,18H,12H2,1-2H3/p+1/t16-/m0/s1.
What are the key properties of [2-[(S)-hydroxy(phenyl)methyl]phenyl]methyl-dimethylazanium?
[2-[(S)-hydroxy(phenyl)methyl]phenyl]methyl-dimethylazanium has a molecular weight of 242.34 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(S)-hydroxy(phenyl)methyl]phenyl]methyl-dimethylazanium is sourced from PubChem (CID 7047360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).