(2,4-dimethoxyphenyl)methyl 1-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylate

C16H20O6 — CID 154965261

IUPAC(2,4-dimethoxyphenyl)methyl 1-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylate
SMILESCOC(=O)CC1(C(=O)OCc2ccc(OC)cc2OC)CC1
InChIInChI=1S/C16H20O6/c1-19-12-5-4-11(13(8-12)20-2)10-22-15(18)16(6-7-16)9-14(17)21-3/h4-5,8H,6-7,9-10H2,1-3H3
InChIKeyMJQYAGGWRGAAJD-UHFFFAOYSA-N
MW308.33 g/mol
LogP2.09
Rot. Bonds7

About (2,4-dimethoxyphenyl)methyl 1-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylate

(2,4-dimethoxyphenyl)methyl 1-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylate (PubChem CID 154965261) has the molecular formula C16H20O6 and a molecular weight of 308.33 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)methyl 1-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)methyl 1-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylate
PubChem CID154965261
Molecular FormulaC16H20O6
Molecular Weight308.33 g/mol
Exact Mass308.13
IUPAC Name(2,4-dimethoxyphenyl)methyl 1-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylate
SMILESCOC(=O)CC1(C(=O)OCc2ccc(OC)cc2OC)CC1
InChIInChI=1S/C16H20O6/c1-19-12-5-4-11(13(8-12)20-2)10-22-15(18)16(6-7-16)9-14(17)21-3/h4-5,8H,6-7,9-10H2,1-3H3
InChIKeyMJQYAGGWRGAAJD-UHFFFAOYSA-N
XLogP2.09
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2,4-dimethoxyphenyl)methyl (E)-4-iodo-3-methylbut-3-enoate
CID 24874415
(2,4-dimethoxyphenyl)methyl 2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-hydroxyacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetate
CID 166726717
(2,4-dimethoxyphenyl)methyl 2-methylidene-4-oxohexanoate
CID 167370671
(2,4-dimethoxyphenyl)methylurea
CID 53362457
methyl 3-[(2,4-dimethoxyphenyl)methylamino]propanoate
CID 11844508
methyl N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methylcarbamate
CID 115190775
ethyl 4-(2,4-dimethoxyphenyl)-3-oxobutanoate
CID 45156317
(2-acetamido-5-chlorophenyl)methyl 2-(2,4-dimethoxyphenyl)acetate
CID 57226067
2-(2,4-dimethoxyphenyl)-N-(4-hydroxyphenyl)acetamide
CID 84554293
1-amino-N-[(2,4-dimethoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119267645
1-carbamothioyl-N-[(2,4-dimethoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 80590384
(2,4-dimethoxyphenyl)methyl N-(1,3-oxazol-4-yl)carbamate
CID 86687690

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)methyl 1-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylate?
The IUPAC name of (2,4-dimethoxyphenyl)methyl 1-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylate (CID 154965261) is (2,4-dimethoxyphenyl)methyl 1-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylate.
What is the SMILES notation for (2,4-dimethoxyphenyl)methyl 1-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylate?
The canonical SMILES for (2,4-dimethoxyphenyl)methyl 1-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylate is COC(=O)CC1(C(=O)OCc2ccc(OC)cc2OC)CC1.
What is the InChIKey of (2,4-dimethoxyphenyl)methyl 1-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylate?
The InChIKey is MJQYAGGWRGAAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O6/c1-19-12-5-4-11(13(8-12)20-2)10-22-15(18)16(6-7-16)9-14(17)21-3/h4-5,8H,6-7,9-10H2,1-3H3.
What are the key properties of (2,4-dimethoxyphenyl)methyl 1-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylate?
(2,4-dimethoxyphenyl)methyl 1-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylate has a molecular weight of 308.33 g/mol, XLogP of 2.09, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl)methyl 1-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 154965261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).