dimethylamino-(4-phenoxyphenyl)methanol

C15H17NO2 — CID 116909552

IUPACdimethylamino-(4-phenoxyphenyl)methanol
SMILESCN(C)C(O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C15H17NO2/c1-16(2)15(17)12-8-10-14(11-9-12)18-13-6-4-3-5-7-13/h3-11,15,17H,1-2H3
InChIKeyBOBIVZLGFLARBD-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.03
Rot. Bonds4

About dimethylamino-(4-phenoxyphenyl)methanol

dimethylamino-(4-phenoxyphenyl)methanol (PubChem CID 116909552) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is dimethylamino-(4-phenoxyphenyl)methanol.

Molecular Properties

Compound Namedimethylamino-(4-phenoxyphenyl)methanol
PubChem CID116909552
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Namedimethylamino-(4-phenoxyphenyl)methanol
SMILESCN(C)C(O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C15H17NO2/c1-16(2)15(17)12-8-10-14(11-9-12)18-13-6-4-3-5-7-13/h3-11,15,17H,1-2H3
InChIKeyBOBIVZLGFLARBD-UHFFFAOYSA-N
XLogP3.03
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(4-phenoxyphenyl)ethanol;hydrochloride
CID 67663526
N,N',N'-trimethyl-1-(4-phenoxyphenyl)methanediamine
CID 116909235
(1R,2R)-1-fluoro-1-(4-phenoxyphenyl)propan-2-ol
CID 122372141
buta-1,3-diene;N,N-dimethyl-1-(4-phenoxyphenyl)ethanamine;ethane
CID 145029276
2-[2-(dimethylamino)ethoxy]-1-(4-phenoxyphenyl)ethanol
CID 3076594
1-(1-chloroethyl)-4-phenoxybenzene
CID 18342950
2-hydroxy-2-(4-phenoxyphenyl)acetonitrile
CID 11436051
(1S)-2-amino-1-(4-phenoxyphenyl)ethanol
CID 39247565
2-(4-phenoxyphenyl)propanoic acid
CID 527817
(1R,2S)-1-amino-3-methyl-1-(4-phenoxyphenyl)butan-2-ol;hydrochloride
CID 171263705
dimethylamino-(4-fluorophenyl)methanol
CID 116909515
N,N'-dimethyl-1-(4-phenoxyphenyl)methanediamine
CID 116954329

Frequently Asked Questions

What is the IUPAC name of dimethylamino-(4-phenoxyphenyl)methanol?
The IUPAC name of dimethylamino-(4-phenoxyphenyl)methanol (CID 116909552) is dimethylamino-(4-phenoxyphenyl)methanol.
What is the SMILES notation for dimethylamino-(4-phenoxyphenyl)methanol?
The canonical SMILES for dimethylamino-(4-phenoxyphenyl)methanol is CN(C)C(O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of dimethylamino-(4-phenoxyphenyl)methanol?
The InChIKey is BOBIVZLGFLARBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-16(2)15(17)12-8-10-14(11-9-12)18-13-6-4-3-5-7-13/h3-11,15,17H,1-2H3.
What are the key properties of dimethylamino-(4-phenoxyphenyl)methanol?
dimethylamino-(4-phenoxyphenyl)methanol has a molecular weight of 243.31 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylamino-(4-phenoxyphenyl)methanol is sourced from PubChem (CID 116909552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).