[3-(2,3-dimethoxyphenyl)phenyl]methyl acetate

C17H18O4 — CID 175266062

IUPAC[3-(2,3-dimethoxyphenyl)phenyl]methyl acetate
SMILESCOc1cccc(-c2cccc(COC(C)=O)c2)c1OC
InChIInChI=1S/C17H18O4/c1-12(18)21-11-13-6-4-7-14(10-13)15-8-5-9-16(19-2)17(15)20-3/h4-10H,11H2,1-3H3
InChIKeyYIRRMZPUOUBDGD-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.43
Rot. Bonds5

About [3-(2,3-dimethoxyphenyl)phenyl]methyl acetate

[3-(2,3-dimethoxyphenyl)phenyl]methyl acetate (PubChem CID 175266062) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is [3-(2,3-dimethoxyphenyl)phenyl]methyl acetate.

Molecular Properties

Compound Name[3-(2,3-dimethoxyphenyl)phenyl]methyl acetate
PubChem CID175266062
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name[3-(2,3-dimethoxyphenyl)phenyl]methyl acetate
SMILESCOc1cccc(-c2cccc(COC(C)=O)c2)c1OC
InChIInChI=1S/C17H18O4/c1-12(18)21-11-13-6-4-7-14(10-13)15-8-5-9-16(19-2)17(15)20-3/h4-10H,11H2,1-3H3
InChIKeyYIRRMZPUOUBDGD-UHFFFAOYSA-N
XLogP3.43
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2,3-dimethoxyphenyl)phenyl] propanoate
CID 142465184
1,2-dimethoxy-3-(3-methoxyphenyl)benzene
CID 57121160
[3-(aminomethyl)phenyl]methyl acetate
CID 147642201
3-[3-(hydroxymethyl)phenyl]-2-methoxybenzoic acid
CID 53225350
N-(diaminomethylidene)-5-(2,3-dimethoxyphenyl)furan-2-carboxamide
CID 11312289
(2-hydroxy-6-methoxyphenyl)methyl acetate
CID 162054633
1-methoxy-3-phenyl-2-phenylmethoxybenzene
CID 11994921
[3-(2,3-diphenylphenyl)-2,6-dimethoxyphenyl]methyl acetate
CID 174564849
2-[3-(hydroxymethyl)phenyl]-7-methoxycyclohepta-2,4,6-trien-1-one
CID 10633905
[3-(3-chlorophenyl)-4-methoxyphenyl]methyl hydrogen carbonate
CID 141248604
(3-methylphenyl)methyl (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate
CID 8873171
3-(2,3,4-trimethoxyphenyl)benzamide
CID 174562773

Frequently Asked Questions

What is the IUPAC name of [3-(2,3-dimethoxyphenyl)phenyl]methyl acetate?
The IUPAC name of [3-(2,3-dimethoxyphenyl)phenyl]methyl acetate (CID 175266062) is [3-(2,3-dimethoxyphenyl)phenyl]methyl acetate.
What is the SMILES notation for [3-(2,3-dimethoxyphenyl)phenyl]methyl acetate?
The canonical SMILES for [3-(2,3-dimethoxyphenyl)phenyl]methyl acetate is COc1cccc(-c2cccc(COC(C)=O)c2)c1OC.
What is the InChIKey of [3-(2,3-dimethoxyphenyl)phenyl]methyl acetate?
The InChIKey is YIRRMZPUOUBDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-12(18)21-11-13-6-4-7-14(10-13)15-8-5-9-16(19-2)17(15)20-3/h4-10H,11H2,1-3H3.
What are the key properties of [3-(2,3-dimethoxyphenyl)phenyl]methyl acetate?
[3-(2,3-dimethoxyphenyl)phenyl]methyl acetate has a molecular weight of 286.33 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,3-dimethoxyphenyl)phenyl]methyl acetate is sourced from PubChem (CID 175266062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).