methyl 4-(2-methoxypropyl)benzoate

C12H16O3 — CID 57294671

IUPACmethyl 4-(2-methoxypropyl)benzoate
SMILESCOC(=O)c1ccc(CC(C)OC)cc1
InChIInChI=1S/C12H16O3/c1-9(14-2)8-10-4-6-11(7-5-10)12(13)15-3/h4-7,9H,8H2,1-3H3
InChIKeyCDBUOZXBQVGHHI-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.05
Rot. Bonds4

About methyl 4-(2-methoxypropyl)benzoate

methyl 4-(2-methoxypropyl)benzoate (PubChem CID 57294671) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is methyl 4-(2-methoxypropyl)benzoate.

Molecular Properties

Compound Namemethyl 4-(2-methoxypropyl)benzoate
PubChem CID57294671
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Namemethyl 4-(2-methoxypropyl)benzoate
SMILESCOC(=O)c1ccc(CC(C)OC)cc1
InChIInChI=1S/C12H16O3/c1-9(14-2)8-10-4-6-11(7-5-10)12(13)15-3/h4-7,9H,8H2,1-3H3
InChIKeyCDBUOZXBQVGHHI-UHFFFAOYSA-N
XLogP2.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 4-(2-methoxypropyl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-[(2R)-2-aminopropyl]benzoate
CID 22823241
2-bromo-3-(4-methoxycarbonylphenyl)propanoic acid
CID 150848084
methyl 4-[1-(4-methoxyphenyl)propan-2-yloxy]benzoate
CID 86053961
methyl 4-(2-methyl-3-oxopropyl)benzoate
CID 71336358
3-(4-methoxycarbonylphenyl)propanoic acid
CID 22716688
methyl 4-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethyl]benzoate
CID 90976006
2-(4-methoxycarbonylphenyl)acetic acid
CID 10797879
methyl 4-[(2S)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]benzoate
CID 22823728
(2S)-2-methoxy-3-[4-[3-(4-methoxycarbonylphenoxy)propoxy]phenyl]propanoic acid
CID 69423428
dimethyl (2R,3S)-2-hydroxy-3-[(4-methoxycarbonylphenyl)methyl]butanedioate
CID 11381321
methyl 4-[2-acetyloxy-2-(4-methoxycarbonylphenyl)ethyl]benzoate
CID 14121889
methyl 4-[3-(4-methoxycarbonylphenyl)propyl]benzoate
CID 4063050

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-methoxypropyl)benzoate?
The IUPAC name of methyl 4-(2-methoxypropyl)benzoate (CID 57294671) is methyl 4-(2-methoxypropyl)benzoate.
What is the SMILES notation for methyl 4-(2-methoxypropyl)benzoate?
The canonical SMILES for methyl 4-(2-methoxypropyl)benzoate is COC(=O)c1ccc(CC(C)OC)cc1.
What is the InChIKey of methyl 4-(2-methoxypropyl)benzoate?
The InChIKey is CDBUOZXBQVGHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-9(14-2)8-10-4-6-11(7-5-10)12(13)15-3/h4-7,9H,8H2,1-3H3.
What are the key properties of methyl 4-(2-methoxypropyl)benzoate?
methyl 4-(2-methoxypropyl)benzoate has a molecular weight of 208.26 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-methoxypropyl)benzoate is sourced from PubChem (CID 57294671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).