[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

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Terameprocol
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P-Hydroxyphenethyl Trans-Ferulate
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Benzyl isoeugenol
CID 61046
Benzene, 2-methoxy-1-(phenylmethoxy)-4-(2-propen-1-yl)-
CID 93649
Isoeugenol benzyl ether
CID 1550886
8-Methoxychromen-2-one
CID 520130
3'-Methoxy-(6)-Gingerdiol 3,5-diacetate
CID 5319662
Decarboxylated 8,5'-diferulic acid
CID 10337420
trans-Coniferyl alcohol diacetate
CID 6537101
11-Methoxyyangonin
CID 5458436

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).