[4-[2-[4-[2-(dimethylamino)ethoxy]phenyl]ethynyl]phenyl]methanol

C19H21NO2 — CID 171661609

IUPAC[4-[2-[4-[2-(dimethylamino)ethoxy]phenyl]ethynyl]phenyl]methanol
SMILESCN(C)CCOc1ccc(C#Cc2ccc(CO)cc2)cc1
InChIInChI=1S/C19H21NO2/c1-20(2)13-14-22-19-11-9-17(10-12-19)4-3-16-5-7-18(15-21)8-6-16/h5-12,21H,13-15H2,1-2H3
InChIKeyNXELCKGYFQISLA-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.52
Rot. Bonds5

About [4-[2-[4-[2-(dimethylamino)ethoxy]phenyl]ethynyl]phenyl]methanol

[4-[2-[4-[2-(dimethylamino)ethoxy]phenyl]ethynyl]phenyl]methanol (PubChem CID 171661609) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is [4-[2-[4-[2-(dimethylamino)ethoxy]phenyl]ethynyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[2-[4-[2-(dimethylamino)ethoxy]phenyl]ethynyl]phenyl]methanol
PubChem CID171661609
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name[4-[2-[4-[2-(dimethylamino)ethoxy]phenyl]ethynyl]phenyl]methanol
SMILESCN(C)CCOc1ccc(C#Cc2ccc(CO)cc2)cc1
InChIInChI=1S/C19H21NO2/c1-20(2)13-14-22-19-11-9-17(10-12-19)4-3-16-5-7-18(15-21)8-6-16/h5-12,21H,13-15H2,1-2H3
InChIKeyNXELCKGYFQISLA-UHFFFAOYSA-N
XLogP2.52
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[2-(dimethylamino)ethoxy]phenyl]ethanol
CID 83390498
4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-ynamide
CID 170473957
methyl 4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-ynoate
CID 170470382
2-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]-N,N-dimethylethanamine
CID 171715461
1-[4-[2-(dimethylamino)ethoxy]phenyl]propan-2-one;hydrochloride
CID 3079549
[4-[13-[4-(hydroxymethyl)phenoxy]tridecoxy]phenyl]methanol
CID 118229822
[4-[9-[4-(hydroxymethyl)phenoxy]nonoxy]phenyl]methanol
CID 102040147
(2R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylpropan-2-amine
CID 827396
3-[4-[2-[ethyl(methyl)amino]ethoxy]phenyl]prop-2-yn-1-ol
CID 54970283
2-(4-tert-butylphenoxy)-N,N-dimethylethanamine
CID 5261951
(NE)-N-[4-[4-[2-(dimethylamino)ethoxy]phenyl]butan-2-ylidene]hydroxylamine
CID 24707329
[4-(2-prop-2-ynoxyethoxy)phenyl]methanol
CID 155391194

Frequently Asked Questions

What is the IUPAC name of [4-[2-[4-[2-(dimethylamino)ethoxy]phenyl]ethynyl]phenyl]methanol?
The IUPAC name of [4-[2-[4-[2-(dimethylamino)ethoxy]phenyl]ethynyl]phenyl]methanol (CID 171661609) is [4-[2-[4-[2-(dimethylamino)ethoxy]phenyl]ethynyl]phenyl]methanol.
What is the SMILES notation for [4-[2-[4-[2-(dimethylamino)ethoxy]phenyl]ethynyl]phenyl]methanol?
The canonical SMILES for [4-[2-[4-[2-(dimethylamino)ethoxy]phenyl]ethynyl]phenyl]methanol is CN(C)CCOc1ccc(C#Cc2ccc(CO)cc2)cc1.
What is the InChIKey of [4-[2-[4-[2-(dimethylamino)ethoxy]phenyl]ethynyl]phenyl]methanol?
The InChIKey is NXELCKGYFQISLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-20(2)13-14-22-19-11-9-17(10-12-19)4-3-16-5-7-18(15-21)8-6-16/h5-12,21H,13-15H2,1-2H3.
What are the key properties of [4-[2-[4-[2-(dimethylamino)ethoxy]phenyl]ethynyl]phenyl]methanol?
[4-[2-[4-[2-(dimethylamino)ethoxy]phenyl]ethynyl]phenyl]methanol has a molecular weight of 295.38 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[4-[2-(dimethylamino)ethoxy]phenyl]ethynyl]phenyl]methanol is sourced from PubChem (CID 171661609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).