(3,5-dimethoxyphenyl)-[3-(dimethylamino)phenyl]methanol

C17H21NO3 — CID 105114451

IUPAC(3,5-dimethoxyphenyl)-[3-(dimethylamino)phenyl]methanol
SMILESCOc1cc(OC)cc(C(O)c2cccc(N(C)C)c2)c1
InChIInChI=1S/C17H21NO3/c1-18(2)14-7-5-6-12(8-14)17(19)13-9-15(20-3)11-16(10-13)21-4/h5-11,17,19H,1-4H3
InChIKeyCUJNSTCDVPCDJW-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.85
Rot. Bonds5

About (3,5-dimethoxyphenyl)-[3-(dimethylamino)phenyl]methanol

(3,5-dimethoxyphenyl)-[3-(dimethylamino)phenyl]methanol (PubChem CID 105114451) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is (3,5-dimethoxyphenyl)-[3-(dimethylamino)phenyl]methanol.

Molecular Properties

Compound Name(3,5-dimethoxyphenyl)-[3-(dimethylamino)phenyl]methanol
PubChem CID105114451
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name(3,5-dimethoxyphenyl)-[3-(dimethylamino)phenyl]methanol
SMILESCOc1cc(OC)cc(C(O)c2cccc(N(C)C)c2)c1
InChIInChI=1S/C17H21NO3/c1-18(2)14-7-5-6-12(8-14)17(19)13-9-15(20-3)11-16(10-13)21-4/h5-11,17,19H,1-4H3
InChIKeyCUJNSTCDVPCDJW-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

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Related Compounds

[4-(dimethylamino)phenyl]-(3-methoxyphenyl)methanol
CID 63893480
[3-(dimethylamino)phenyl]-(2-fluoro-3-methoxyphenyl)methanol
CID 105120885
[3-(dimethylamino)phenyl]-(3-fluoro-4-methylphenyl)methanol
CID 107130688
(3,5-dimethoxyphenyl)-(3-phenylmethoxyphenyl)methanol
CID 69204493
3-(3-methoxyphenoxy)-N,N-dimethylaniline
CID 138490404
[3-(dimethylamino)phenyl]-(methylamino)methanol
CID 59725197
1-[3-(dimethylamino)phenyl]-2,2-dimethylpropan-1-ol
CID 105096689
(R)-(4-chlorophenyl)-(3-methoxyphenyl)methanol
CID 7146657
(S)-(4-chlorophenyl)-(3-methoxyphenyl)methanol
CID 7146658
(3-fluoro-5-methylphenyl)-(3-methoxyphenyl)methanol
CID 79689828
(2,3-difluoro-4-methylphenyl)-[3-(dimethylamino)phenyl]methanol
CID 107516253
(2,5-dichlorophenyl)-[3-(dimethylamino)phenyl]methanol
CID 105093347

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxyphenyl)-[3-(dimethylamino)phenyl]methanol?
The IUPAC name of (3,5-dimethoxyphenyl)-[3-(dimethylamino)phenyl]methanol (CID 105114451) is (3,5-dimethoxyphenyl)-[3-(dimethylamino)phenyl]methanol.
What is the SMILES notation for (3,5-dimethoxyphenyl)-[3-(dimethylamino)phenyl]methanol?
The canonical SMILES for (3,5-dimethoxyphenyl)-[3-(dimethylamino)phenyl]methanol is COc1cc(OC)cc(C(O)c2cccc(N(C)C)c2)c1.
What is the InChIKey of (3,5-dimethoxyphenyl)-[3-(dimethylamino)phenyl]methanol?
The InChIKey is CUJNSTCDVPCDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-18(2)14-7-5-6-12(8-14)17(19)13-9-15(20-3)11-16(10-13)21-4/h5-11,17,19H,1-4H3.
What are the key properties of (3,5-dimethoxyphenyl)-[3-(dimethylamino)phenyl]methanol?
(3,5-dimethoxyphenyl)-[3-(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 (3,5-dimethoxyphenyl)-[3-(dimethylamino)phenyl]methanol is sourced from PubChem (CID 105114451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).