methyl 1-(2,3-dimethoxyphenyl)cyclopropane-1-carboxylate

C13H16O4 — CID 105497539

IUPACmethyl 1-(2,3-dimethoxyphenyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2cccc(OC)c2OC)CC1
InChIInChI=1S/C13H16O4/c1-15-10-6-4-5-9(11(10)16-2)13(7-8-13)12(14)17-3/h4-6H,7-8H2,1-3H3
InChIKeyZTPKINJFJRAZKH-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.91
Rot. Bonds4

About methyl 1-(2,3-dimethoxyphenyl)cyclopropane-1-carboxylate

methyl 1-(2,3-dimethoxyphenyl)cyclopropane-1-carboxylate (PubChem CID 105497539) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is methyl 1-(2,3-dimethoxyphenyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2,3-dimethoxyphenyl)cyclopropane-1-carboxylate
PubChem CID105497539
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Namemethyl 1-(2,3-dimethoxyphenyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2cccc(OC)c2OC)CC1
InChIInChI=1S/C13H16O4/c1-15-10-6-4-5-9(11(10)16-2)13(7-8-13)12(14)17-3/h4-6H,7-8H2,1-3H3
InChIKeyZTPKINJFJRAZKH-UHFFFAOYSA-N
XLogP1.91
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(2,5-dimethoxy-3,4-dimethylphenyl)cyclopropane-1-carboxylate
CID 116964044
(2,2,2-trifluoroacetyl) 4-(2,3-dimethoxyphenyl)piperidine-4-carboxylate
CID 57201917
methyl 1-(5-hydroxy-2-methoxyphenyl)cyclopropane-1-carboxylate
CID 105478906
methyl 1-quinolin-4-ylcyclopropane-1-carboxylate
CID 116985439
1-(2-cyclopropyloxy-3-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117410189
1-[3-methoxy-2-(oxan-4-yloxy)phenyl]cyclopropane-1-carboxylic acid
CID 117472035
1-(2-cyclopropyloxy-3-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 117469164
1-(2-hydroxy-3-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117344782
1-(1-hydroxy-5-methoxynaphthalen-2-yl)cyclobutane-1-carboxylic acid
CID 117433459
1-[3-methoxy-2-(thietan-3-yloxy)phenyl]cyclopentane-1-carboxylic acid
CID 117493403
1-[2-methoxy-3-(thian-4-yloxy)phenyl]cyclopropane-1-carboxylic acid
CID 117493421
[1-(2,3-dimethoxyphenyl)cyclopropyl]methanamine
CID 82611087

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2,3-dimethoxyphenyl)cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-(2,3-dimethoxyphenyl)cyclopropane-1-carboxylate (CID 105497539) is methyl 1-(2,3-dimethoxyphenyl)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-(2,3-dimethoxyphenyl)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-(2,3-dimethoxyphenyl)cyclopropane-1-carboxylate is COC(=O)C1(c2cccc(OC)c2OC)CC1.
What is the InChIKey of methyl 1-(2,3-dimethoxyphenyl)cyclopropane-1-carboxylate?
The InChIKey is ZTPKINJFJRAZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O4/c1-15-10-6-4-5-9(11(10)16-2)13(7-8-13)12(14)17-3/h4-6H,7-8H2,1-3H3.
What are the key properties of methyl 1-(2,3-dimethoxyphenyl)cyclopropane-1-carboxylate?
methyl 1-(2,3-dimethoxyphenyl)cyclopropane-1-carboxylate has a molecular weight of 236.27 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2,3-dimethoxyphenyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 105497539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).