(2,6-dimethoxyphenyl)-[4-(dimethylamino)phenyl]methanol

C17H21NO3 — CID 116809671

IUPAC(2,6-dimethoxyphenyl)-[4-(dimethylamino)phenyl]methanol
SMILESCOc1cccc(OC)c1C(O)c1ccc(N(C)C)cc1
InChIInChI=1S/C17H21NO3/c1-18(2)13-10-8-12(9-11-13)17(19)16-14(20-3)6-5-7-15(16)21-4/h5-11,17,19H,1-4H3
InChIKeyRPYPIGLVPZWDMN-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.85
Rot. Bonds5

About (2,6-dimethoxyphenyl)-[4-(dimethylamino)phenyl]methanol

(2,6-dimethoxyphenyl)-[4-(dimethylamino)phenyl]methanol (PubChem CID 116809671) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is (2,6-dimethoxyphenyl)-[4-(dimethylamino)phenyl]methanol.

Molecular Properties

Compound Name(2,6-dimethoxyphenyl)-[4-(dimethylamino)phenyl]methanol
PubChem CID116809671
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name(2,6-dimethoxyphenyl)-[4-(dimethylamino)phenyl]methanol
SMILESCOc1cccc(OC)c1C(O)c1ccc(N(C)C)cc1
InChIInChI=1S/C17H21NO3/c1-18(2)13-10-8-12(9-11-13)17(19)16-14(20-3)6-5-7-15(16)21-4/h5-11,17,19H,1-4H3
InChIKeyRPYPIGLVPZWDMN-UHFFFAOYSA-N
XLogP2.85
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

4-[amino-(2,6-dimethoxyphenyl)methyl]-N,N-dimethylaniline
CID 105188768
[4-(dimethylamino)phenyl]-(2-fluoro-3-methoxyphenyl)methanol
CID 82805394
[4-(dimethylamino)phenyl]-(3-methoxyphenyl)methanol
CID 63893480
[3-(difluoromethyl)phenyl]-(2,6-dimethoxyphenyl)methanol
CID 116809823
(2,5-dimethoxyphenyl)-[4-(dimethylamino)phenyl]methanol
CID 63895776
(2,6-dimethoxyphenyl)-(3-fluoro-4-methylphenyl)methanol
CID 116809700
(3-bromo-4-chlorophenyl)-(2,6-dimethoxyphenyl)methanol
CID 116809848
(2,6-dimethoxyphenyl)-pyridazin-4-ylmethanol
CID 105131599
(S)-[4-(dimethylamino)phenyl]-(3-ethoxy-4-methoxyphenyl)methanol
CID 129391245
[2-(hydroxymethyl)-6-methoxyphenyl]-(4-methoxyphenyl)methanol
CID 15548223
[3-(dimethylamino)phenyl]-(2-fluoro-3-methoxyphenyl)methanol
CID 105120885
bis[4-(4-methoxy-N-methylanilino)phenyl]methanol
CID 139653192

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxyphenyl)-[4-(dimethylamino)phenyl]methanol?
The IUPAC name of (2,6-dimethoxyphenyl)-[4-(dimethylamino)phenyl]methanol (CID 116809671) is (2,6-dimethoxyphenyl)-[4-(dimethylamino)phenyl]methanol.
What is the SMILES notation for (2,6-dimethoxyphenyl)-[4-(dimethylamino)phenyl]methanol?
The canonical SMILES for (2,6-dimethoxyphenyl)-[4-(dimethylamino)phenyl]methanol is COc1cccc(OC)c1C(O)c1ccc(N(C)C)cc1.
What is the InChIKey of (2,6-dimethoxyphenyl)-[4-(dimethylamino)phenyl]methanol?
The InChIKey is RPYPIGLVPZWDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-18(2)13-10-8-12(9-11-13)17(19)16-14(20-3)6-5-7-15(16)21-4/h5-11,17,19H,1-4H3.
What are the key properties of (2,6-dimethoxyphenyl)-[4-(dimethylamino)phenyl]methanol?
(2,6-dimethoxyphenyl)-[4-(dimethylamino)phenyl]methanol has a molecular weight of 287.36 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxyphenyl)-[4-(dimethylamino)phenyl]methanol is sourced from PubChem (CID 116809671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).