2,4-dimethoxy-1-[(3-methoxyphenyl)methyl]benzene

C16H18O3 — CID 173405518

IUPAC2,4-dimethoxy-1-[(3-methoxyphenyl)methyl]benzene
SMILESCOc1cccc(Cc2ccc(OC)cc2OC)c1
InChIInChI=1S/C16H18O3/c1-17-14-6-4-5-12(10-14)9-13-7-8-15(18-2)11-16(13)19-3/h4-8,10-11H,9H2,1-3H3
InChIKeyOZAHZKZEPYPYCP-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.30
Rot. Bonds5

About 2,4-dimethoxy-1-[(3-methoxyphenyl)methyl]benzene

2,4-dimethoxy-1-[(3-methoxyphenyl)methyl]benzene (PubChem CID 173405518) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2,4-dimethoxy-1-[(3-methoxyphenyl)methyl]benzene.

Molecular Properties

Compound Name2,4-dimethoxy-1-[(3-methoxyphenyl)methyl]benzene
PubChem CID173405518
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name2,4-dimethoxy-1-[(3-methoxyphenyl)methyl]benzene
SMILESCOc1cccc(Cc2ccc(OC)cc2OC)c1
InChIInChI=1S/C16H18O3/c1-17-14-6-4-5-12(10-14)9-13-7-8-15(18-2)11-16(13)19-3/h4-8,10-11H,9H2,1-3H3
InChIKeyOZAHZKZEPYPYCP-UHFFFAOYSA-N
XLogP3.30
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)methanamine
CID 738572
4-[(2,4-dimethoxyphenyl)methyl]-2,6-dimethoxyphenol
CID 91244154
(2R)-1-[2,5-dimethoxy-4-[(3-methoxyphenyl)methyl]phenyl]propan-2-amine;hydrochloride
CID 69398497
[3-[(2,5-dimethoxyphenyl)methyl]phenyl]methanamine
CID 116926180
1-[4-methoxy-2-[(3-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 61268156
1-(bromomethyl)-4-methoxy-2-[(3-methoxyphenyl)methoxy]benzene
CID 61267436
[2-[(3-bromophenyl)methyl]-5-methoxyphenoxy]-tert-butyl-dimethylsilane
CID 140869039
1-[2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]phenyl]-2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]benzene
CID 172870468
[2-[(3-methoxyphenyl)methyl]phenyl]-trimethylsilane
CID 171716633
1-methoxy-3-[(2-phenylphenyl)methyl]benzene
CID 150811208
1-(iodomethyl)-2,4-dimethoxybenzene
CID 91883521
(2,4-dimethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium
CID 5045085

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-1-[(3-methoxyphenyl)methyl]benzene?
The IUPAC name of 2,4-dimethoxy-1-[(3-methoxyphenyl)methyl]benzene (CID 173405518) is 2,4-dimethoxy-1-[(3-methoxyphenyl)methyl]benzene.
What is the SMILES notation for 2,4-dimethoxy-1-[(3-methoxyphenyl)methyl]benzene?
The canonical SMILES for 2,4-dimethoxy-1-[(3-methoxyphenyl)methyl]benzene is COc1cccc(Cc2ccc(OC)cc2OC)c1.
What is the InChIKey of 2,4-dimethoxy-1-[(3-methoxyphenyl)methyl]benzene?
The InChIKey is OZAHZKZEPYPYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3/c1-17-14-6-4-5-12(10-14)9-13-7-8-15(18-2)11-16(13)19-3/h4-8,10-11H,9H2,1-3H3.
What are the key properties of 2,4-dimethoxy-1-[(3-methoxyphenyl)methyl]benzene?
2,4-dimethoxy-1-[(3-methoxyphenyl)methyl]benzene has a molecular weight of 258.32 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-1-[(3-methoxyphenyl)methyl]benzene is sourced from PubChem (CID 173405518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).