1,1-bis(2,3-dimethoxyphenyl)propan-2-yl propanoate

C22H28O6 — CID 145114248

IUPAC1,1-bis(2,3-dimethoxyphenyl)propan-2-yl propanoate
SMILESCCC(=O)OC(C)C(c1cccc(OC)c1OC)c1cccc(OC)c1OC
InChIInChI=1S/C22H28O6/c1-7-19(23)28-14(2)20(15-10-8-12-17(24-3)21(15)26-5)16-11-9-13-18(25-4)22(16)27-6/h8-14,20H,7H2,1-6H3
InChIKeyUWLRAWBZCCXKGG-UHFFFAOYSA-N
MW388.46 g/mol
LogP4.19
Rot. Bonds9

About 1,1-bis(2,3-dimethoxyphenyl)propan-2-yl propanoate

1,1-bis(2,3-dimethoxyphenyl)propan-2-yl propanoate (PubChem CID 145114248) has the molecular formula C22H28O6 and a molecular weight of 388.46 g/mol. Its IUPAC name is 1,1-bis(2,3-dimethoxyphenyl)propan-2-yl propanoate.

Molecular Properties

Compound Name1,1-bis(2,3-dimethoxyphenyl)propan-2-yl propanoate
PubChem CID145114248
Molecular FormulaC22H28O6
Molecular Weight388.46 g/mol
Exact Mass388.19
IUPAC Name1,1-bis(2,3-dimethoxyphenyl)propan-2-yl propanoate
SMILESCCC(=O)OC(C)C(c1cccc(OC)c1OC)c1cccc(OC)c1OC
InChIInChI=1S/C22H28O6/c1-7-19(23)28-14(2)20(15-10-8-12-17(24-3)21(15)26-5)16-11-9-13-18(25-4)22(16)27-6/h8-14,20H,7H2,1-6H3
InChIKeyUWLRAWBZCCXKGG-UHFFFAOYSA-N
XLogP4.19
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1,1-bis(5-fluoro-2-methoxyphenyl)propan-2-yl propanoate
CID 142299104
1,1-bis(2,3-dimethoxyphenyl)propan-2-yl propanoate;(2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl 2-methylpropanoate
CID 145114247
(3-ethoxy-2-propanoyloxyphenyl) propanoate;(3-methoxy-2-propanoyloxyphenyl) propanoate
CID 90032322
1,1-bis(3-fluoro-4-methoxyphenyl)propan-2-yl propanoate
CID 145114351
2-(2,3-dimethoxyphenyl)butanal
CID 24973232
methyl (3R)-3-amino-3-(2,3-dimethoxyphenyl)propanoate
CID 7175981
1-(2,3-dimethoxyphenyl)-1-propoxybutan-2-one
CID 83224989
1,1-bis(2-ethoxy-4-fluorophenyl)propan-2-yl propanoate
CID 170226838
2-(2,3-dimethoxyphenyl)-2-hydroxyacetic acid
CID 54776000
2-(2,3-dimethoxyphenyl)-2-(3-hydroxybutan-2-yloxy)acetic acid
CID 103377839
ethyl 2-[(2,3-dimethoxyphenyl)-hydroxymethyl]-3-methylbutanoate
CID 62397786
1,1-bis(2,3-dimethoxyphenyl)propan-2-yl (2R)-4-[4-methoxy-3-(2-methylpropanoyloxymethoxy)-2-pyridinyl]-2-methyl-4-oxobutanoate
CID 147022433

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(2,3-dimethoxyphenyl)propan-2-yl propanoate?
The IUPAC name of 1,1-bis(2,3-dimethoxyphenyl)propan-2-yl propanoate (CID 145114248) is 1,1-bis(2,3-dimethoxyphenyl)propan-2-yl propanoate.
What is the SMILES notation for 1,1-bis(2,3-dimethoxyphenyl)propan-2-yl propanoate?
The canonical SMILES for 1,1-bis(2,3-dimethoxyphenyl)propan-2-yl propanoate is CCC(=O)OC(C)C(c1cccc(OC)c1OC)c1cccc(OC)c1OC.
What is the InChIKey of 1,1-bis(2,3-dimethoxyphenyl)propan-2-yl propanoate?
The InChIKey is UWLRAWBZCCXKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O6/c1-7-19(23)28-14(2)20(15-10-8-12-17(24-3)21(15)26-5)16-11-9-13-18(25-4)22(16)27-6/h8-14,20H,7H2,1-6H3.
What are the key properties of 1,1-bis(2,3-dimethoxyphenyl)propan-2-yl propanoate?
1,1-bis(2,3-dimethoxyphenyl)propan-2-yl propanoate has a molecular weight of 388.46 g/mol, XLogP of 4.19, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(2,3-dimethoxyphenyl)propan-2-yl propanoate is sourced from PubChem (CID 145114248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).