methyl 3-(cyclopropylmethoxy)-4-ethylbenzoate

C14H18O3 — CID 123922954

IUPACmethyl 3-(cyclopropylmethoxy)-4-ethylbenzoate
SMILESCCc1ccc(C(=O)OC)cc1OCC1CC1
InChIInChI=1S/C14H18O3/c1-3-11-6-7-12(14(15)16-2)8-13(11)17-9-10-4-5-10/h6-8,10H,3-5,9H2,1-2H3
InChIKeyZJSZMTIHPGJYFP-UHFFFAOYSA-N
MW234.29 g/mol
LogP2.82
Rot. Bonds5

About methyl 3-(cyclopropylmethoxy)-4-ethylbenzoate

methyl 3-(cyclopropylmethoxy)-4-ethylbenzoate (PubChem CID 123922954) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is methyl 3-(cyclopropylmethoxy)-4-ethylbenzoate.

Molecular Properties

Compound Namemethyl 3-(cyclopropylmethoxy)-4-ethylbenzoate
PubChem CID123922954
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Namemethyl 3-(cyclopropylmethoxy)-4-ethylbenzoate
SMILESCCc1ccc(C(=O)OC)cc1OCC1CC1
InChIInChI=1S/C14H18O3/c1-3-11-6-7-12(14(15)16-2)8-13(11)17-9-10-4-5-10/h6-8,10H,3-5,9H2,1-2H3
InChIKeyZJSZMTIHPGJYFP-UHFFFAOYSA-N
XLogP2.82
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-amino-4-(cyclobutylmethoxy)benzoate
CID 65459005
methyl 3-(cyclohexylmethoxy)-4-iodobenzoate
CID 162393023
methyl 4-ethyl-3-(trifluoromethoxy)benzoate
CID 59382476
methyl 4-methoxy-3-(pyrrolidin-3-ylmethoxy)benzoate
CID 117053759
methyl 3-methoxy-4-(oxolan-3-ylmethoxy)benzoate
CID 117053362
[4-[(3,4-dimethoxybenzoyl)oxymethyl]cyclohexyl]methyl 3,4-dimethoxybenzoate
CID 20530766
methyl 2-(cyclopropylmethoxy)-5-iodobenzoate
CID 59193408
N-[3-(cyclopropylmethoxy)-4-(hydroxymethyl)phenyl]acetamide
CID 141315401
3,4-bis(cyclopropylmethoxy)benzoic acid
CID 102594223
4-O-[2-[4-[(4-ethylcyclohexyl)methoxycarbonyl]benzoyl]oxyethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 54349547
3-(cyclopropylmethoxy)-4-(difluoromethoxymethyl)benzoic acid
CID 90104836
methyl 4-ethyl-3-formylbenzoate
CID 91332052

Frequently Asked Questions

What is the IUPAC name of methyl 3-(cyclopropylmethoxy)-4-ethylbenzoate?
The IUPAC name of methyl 3-(cyclopropylmethoxy)-4-ethylbenzoate (CID 123922954) is methyl 3-(cyclopropylmethoxy)-4-ethylbenzoate.
What is the SMILES notation for methyl 3-(cyclopropylmethoxy)-4-ethylbenzoate?
The canonical SMILES for methyl 3-(cyclopropylmethoxy)-4-ethylbenzoate is CCc1ccc(C(=O)OC)cc1OCC1CC1.
What is the InChIKey of methyl 3-(cyclopropylmethoxy)-4-ethylbenzoate?
The InChIKey is ZJSZMTIHPGJYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-3-11-6-7-12(14(15)16-2)8-13(11)17-9-10-4-5-10/h6-8,10H,3-5,9H2,1-2H3.
What are the key properties of methyl 3-(cyclopropylmethoxy)-4-ethylbenzoate?
methyl 3-(cyclopropylmethoxy)-4-ethylbenzoate has a molecular weight of 234.29 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(cyclopropylmethoxy)-4-ethylbenzoate is sourced from PubChem (CID 123922954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).