methyl 2-[2-(3-methoxy-4-propoxyphenyl)ethyl]cyclopropane-1-carboxylate

C17H24O4 — CID 83938540

IUPACmethyl 2-[2-(3-methoxy-4-propoxyphenyl)ethyl]cyclopropane-1-carboxylate
SMILESCCCOc1ccc(CCC2CC2C(=O)OC)cc1OC
InChIInChI=1S/C17H24O4/c1-4-9-21-15-8-6-12(10-16(15)19-2)5-7-13-11-14(13)17(18)20-3/h6,8,10,13-14H,4-5,7,9,11H2,1-3H3
InChIKeyYYTUHNLGXSMYLR-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.23
Rot. Bonds8

About methyl 2-[2-(3-methoxy-4-propoxyphenyl)ethyl]cyclopropane-1-carboxylate

methyl 2-[2-(3-methoxy-4-propoxyphenyl)ethyl]cyclopropane-1-carboxylate (PubChem CID 83938540) has the molecular formula C17H24O4 and a molecular weight of 292.38 g/mol. Its IUPAC name is methyl 2-[2-(3-methoxy-4-propoxyphenyl)ethyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-(3-methoxy-4-propoxyphenyl)ethyl]cyclopropane-1-carboxylate
PubChem CID83938540
Molecular FormulaC17H24O4
Molecular Weight292.38 g/mol
Exact Mass292.17
IUPAC Namemethyl 2-[2-(3-methoxy-4-propoxyphenyl)ethyl]cyclopropane-1-carboxylate
SMILESCCCOc1ccc(CCC2CC2C(=O)OC)cc1OC
InChIInChI=1S/C17H24O4/c1-4-9-21-15-8-6-12(10-16(15)19-2)5-7-13-11-14(13)17(18)20-3/h6,8,10,13-14H,4-5,7,9,11H2,1-3H3
InChIKeyYYTUHNLGXSMYLR-UHFFFAOYSA-N
XLogP3.23
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-methoxy-4-propoxyphenyl)ethyl]-2-phenylacetamide
CID 141386663
1-N,4-N-bis[(3-methoxy-4-propoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 54777189
methyl 2-[2-(3,5-dimethyl-2-propoxyphenyl)ethyl]cyclopropane-1-carboxylate
CID 83942262
2-[3-(3-methoxy-4-propoxyphenyl)propanoylamino]acetic acid
CID 92924035
(3-methoxy-4-propoxyphenyl)methyl 2,2-dichlorocyclopropane-1-carboxylate
CID 78840809
N-[2-(3-methoxy-4-propoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 131946358
methyl 2-[2-(5-methyl-2-propoxyphenyl)propyl]cyclopropane-1-carboxylate
CID 83933599
methyl 2-[2-(5-chloro-2,4-dimethoxyphenyl)ethyl]cyclopropane-1-carboxylate
CID 83943377
methyl 2-[2-(4-ethoxy-3-methoxyphenyl)propyl]cyclopropane-1-carboxylate
CID 83938424
3-bromo-N-[(3-methoxy-4-propoxyphenyl)methyl]adamantane-1-carboxamide
CID 55632666
(2R)-2-amino-N-[2-(3-methoxy-4-propoxyphenyl)ethyl]-3-methyl-3-methylsulfanylbutanamide
CID 162629982
N-[(2S)-butan-2-yl]-2-(3-methoxy-4-propoxyphenyl)acetamide
CID 2220291

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(3-methoxy-4-propoxyphenyl)ethyl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 2-[2-(3-methoxy-4-propoxyphenyl)ethyl]cyclopropane-1-carboxylate (CID 83938540) is methyl 2-[2-(3-methoxy-4-propoxyphenyl)ethyl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 2-[2-(3-methoxy-4-propoxyphenyl)ethyl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 2-[2-(3-methoxy-4-propoxyphenyl)ethyl]cyclopropane-1-carboxylate is CCCOc1ccc(CCC2CC2C(=O)OC)cc1OC.
What is the InChIKey of methyl 2-[2-(3-methoxy-4-propoxyphenyl)ethyl]cyclopropane-1-carboxylate?
The InChIKey is YYTUHNLGXSMYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O4/c1-4-9-21-15-8-6-12(10-16(15)19-2)5-7-13-11-14(13)17(18)20-3/h6,8,10,13-14H,4-5,7,9,11H2,1-3H3.
What are the key properties of methyl 2-[2-(3-methoxy-4-propoxyphenyl)ethyl]cyclopropane-1-carboxylate?
methyl 2-[2-(3-methoxy-4-propoxyphenyl)ethyl]cyclopropane-1-carboxylate has a molecular weight of 292.38 g/mol, XLogP of 3.23, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(3-methoxy-4-propoxyphenyl)ethyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 83938540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).