3-[(3,5-dimethylphenoxy)methyl]-5-methoxyphenol

C16H18O3 — CID 70951574

IUPAC3-[(3,5-dimethylphenoxy)methyl]-5-methoxyphenol
SMILESCOc1cc(O)cc(COc2cc(C)cc(C)c2)c1
InChIInChI=1S/C16H18O3/c1-11-4-12(2)6-16(5-11)19-10-13-7-14(17)9-15(8-13)18-3/h4-9,17H,10H2,1-3H3
InChIKeyQDMAWUFTJXIYOK-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.60
Rot. Bonds4

About 3-[(3,5-dimethylphenoxy)methyl]-5-methoxyphenol

3-[(3,5-dimethylphenoxy)methyl]-5-methoxyphenol (PubChem CID 70951574) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-[(3,5-dimethylphenoxy)methyl]-5-methoxyphenol.

Molecular Properties

Compound Name3-[(3,5-dimethylphenoxy)methyl]-5-methoxyphenol
PubChem CID70951574
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name3-[(3,5-dimethylphenoxy)methyl]-5-methoxyphenol
SMILESCOc1cc(O)cc(COc2cc(C)cc(C)c2)c1
InChIInChI=1S/C16H18O3/c1-11-4-12(2)6-16(5-11)19-10-13-7-14(17)9-15(8-13)18-3/h4-9,17H,10H2,1-3H3
InChIKeyQDMAWUFTJXIYOK-UHFFFAOYSA-N
XLogP3.60
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(3,5-dimethylphenoxy)methyl]-5-methoxyphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenol
CID 54586280
5-[[3-[[3-[[3,5-bis[[3,5-bis[[3,5-bis[(3,5-dihydroxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]phenoxy]methyl]-5-[[3,5-bis[(3,5-dihydroxyphenyl)methoxy]phenyl]methoxy]phenoxy]methyl]-5-[(3,5-dihydroxyphenyl)methoxy]phenoxy]methyl]benzene-1,3-diol
CID 58912216
[3,5-bis[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methanol
CID 101100720
5-[[3-[(3,5-dihydroxyphenyl)methoxy]-5-[[3-[[3-[(3,5-dihydroxyphenyl)methoxy]-5-[(3-hydroxy-5-methylphenyl)methoxy]phenyl]methoxy]-5-[(4-methylphenoxy)methyl]phenoxy]methyl]phenoxy]methyl]benzene-1,3-diol
CID 58912218
bis[(3-hydroxy-5-methoxyphenyl)methoxy]-oxophosphanium
CID 175386963
3-[(4-tert-butylphenyl)methoxy]-5-methylphenol
CID 107679876
3-(2-hydroxyethyl)-5-[(4-methoxyphenyl)methoxy]phenol
CID 143727870
1-[[3-[[3,5-bis[(3,5-dimethylphenyl)methoxy]phenyl]methoxy]-5-ethylphenoxy]methyl]-3,5-bis[(3,5-dimethylphenyl)methoxy]benzene
CID 59710807
2-[3-hydroxy-5-[(4-methoxyphenyl)methoxy]phenyl]acetaldehyde
CID 89258147
1-methoxy-3,5-dimethylbenzene;sulfane
CID 175727345
1,3-bis[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]-5-methylbenzene
CID 102395902
5-[2-[3-[[3-[[3-[[3-[[3-[[3,5-bis[(3,5-dihydroxyphenyl)methoxy]phenyl]methoxy]-5-hydroxyphenyl]methoxy]-5-[[3-[(3,5-dihydroxyphenyl)methoxy]-5-hydroxyphenyl]methoxy]phenyl]methoxy]-5-(methoxymethyl)phenoxy]methyl]-5-hydroxyphenoxy]methyl]-5-hydroxyphenoxy]ethyl]benzene-1,3-diol
CID 59939789

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethylphenoxy)methyl]-5-methoxyphenol?
The IUPAC name of 3-[(3,5-dimethylphenoxy)methyl]-5-methoxyphenol (CID 70951574) is 3-[(3,5-dimethylphenoxy)methyl]-5-methoxyphenol.
What is the SMILES notation for 3-[(3,5-dimethylphenoxy)methyl]-5-methoxyphenol?
The canonical SMILES for 3-[(3,5-dimethylphenoxy)methyl]-5-methoxyphenol is COc1cc(O)cc(COc2cc(C)cc(C)c2)c1.
What is the InChIKey of 3-[(3,5-dimethylphenoxy)methyl]-5-methoxyphenol?
The InChIKey is QDMAWUFTJXIYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3/c1-11-4-12(2)6-16(5-11)19-10-13-7-14(17)9-15(8-13)18-3/h4-9,17H,10H2,1-3H3.
What are the key properties of 3-[(3,5-dimethylphenoxy)methyl]-5-methoxyphenol?
3-[(3,5-dimethylphenoxy)methyl]-5-methoxyphenol has a molecular weight of 258.32 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethylphenoxy)methyl]-5-methoxyphenol is sourced from PubChem (CID 70951574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).