[5-[(dimethylamino)methyl]-2-(4-methoxy-3,5-dimethylphenyl)phenyl]methanol

C19H25NO2 — CID 163310832

IUPAC[5-[(dimethylamino)methyl]-2-(4-methoxy-3,5-dimethylphenyl)phenyl]methanol
SMILESCOc1c(C)cc(-c2ccc(CN(C)C)cc2CO)cc1C
InChIInChI=1S/C19H25NO2/c1-13-8-16(9-14(2)19(13)22-5)18-7-6-15(11-20(3)4)10-17(18)12-21/h6-10,21H,11-12H2,1-5H3
InChIKeyQBYWBJZVGISOCF-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.53
Rot. Bonds5

About [5-[(dimethylamino)methyl]-2-(4-methoxy-3,5-dimethylphenyl)phenyl]methanol

[5-[(dimethylamino)methyl]-2-(4-methoxy-3,5-dimethylphenyl)phenyl]methanol (PubChem CID 163310832) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is [5-[(dimethylamino)methyl]-2-(4-methoxy-3,5-dimethylphenyl)phenyl]methanol.

Molecular Properties

Compound Name[5-[(dimethylamino)methyl]-2-(4-methoxy-3,5-dimethylphenyl)phenyl]methanol
PubChem CID163310832
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name[5-[(dimethylamino)methyl]-2-(4-methoxy-3,5-dimethylphenyl)phenyl]methanol
SMILESCOc1c(C)cc(-c2ccc(CN(C)C)cc2CO)cc1C
InChIInChI=1S/C19H25NO2/c1-13-8-16(9-14(2)19(13)22-5)18-7-6-15(11-20(3)4)10-17(18)12-21/h6-10,21H,11-12H2,1-5H3
InChIKeyQBYWBJZVGISOCF-UHFFFAOYSA-N
XLogP3.53
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-[(dimethylamino)methyl]-2-[4-(1-methoxyethyl)phenyl]phenyl]methanol
CID 163304853
[5-[(dimethylamino)methyl]-2-[4-(1-ethoxyethyl)phenyl]phenyl]methanol
CID 163312169
[3,5-bis(hydroxymethyl)-4-methoxyphenyl]methanol
CID 154087943
[5-[(dimethylamino)methyl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanol
CID 166613761
4-[4-[(dimethylamino)methyl]-2-(hydroxymethyl)phenyl]-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]benzamide
CID 162628174
N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylhydroxylamine
CID 82606327
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-(3-methoxy-4-methylphenyl)acetamide
CID 55549362
[4-methoxy-3,5-bis[(4-methoxyphenyl)methyl]phenyl]methanol
CID 73213834
3-(4-methoxy-3,5-dimethylphenyl)thiophene-2-carboxylic acid
CID 83068115
[5-[2-[chloro(methyl)amino]ethyl]-3-(hydroxymethyl)-2-methoxyphenyl]methanol
CID 89149840
4-[4-[(dimethylamino)methyl]-2-(hydroxymethyl)phenyl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylbenzamide
CID 164688280
4-[2,4-bis(hydroxymethyl)phenyl]phenol
CID 70444376

Frequently Asked Questions

What is the IUPAC name of [5-[(dimethylamino)methyl]-2-(4-methoxy-3,5-dimethylphenyl)phenyl]methanol?
The IUPAC name of [5-[(dimethylamino)methyl]-2-(4-methoxy-3,5-dimethylphenyl)phenyl]methanol (CID 163310832) is [5-[(dimethylamino)methyl]-2-(4-methoxy-3,5-dimethylphenyl)phenyl]methanol.
What is the SMILES notation for [5-[(dimethylamino)methyl]-2-(4-methoxy-3,5-dimethylphenyl)phenyl]methanol?
The canonical SMILES for [5-[(dimethylamino)methyl]-2-(4-methoxy-3,5-dimethylphenyl)phenyl]methanol is COc1c(C)cc(-c2ccc(CN(C)C)cc2CO)cc1C.
What is the InChIKey of [5-[(dimethylamino)methyl]-2-(4-methoxy-3,5-dimethylphenyl)phenyl]methanol?
The InChIKey is QBYWBJZVGISOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-13-8-16(9-14(2)19(13)22-5)18-7-6-15(11-20(3)4)10-17(18)12-21/h6-10,21H,11-12H2,1-5H3.
What are the key properties of [5-[(dimethylamino)methyl]-2-(4-methoxy-3,5-dimethylphenyl)phenyl]methanol?
[5-[(dimethylamino)methyl]-2-(4-methoxy-3,5-dimethylphenyl)phenyl]methanol has a molecular weight of 299.41 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(dimethylamino)methyl]-2-(4-methoxy-3,5-dimethylphenyl)phenyl]methanol is sourced from PubChem (CID 163310832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).