propyl 2-methoxy-4-propylbenzoate

C14H20O3 — CID 175548133

IUPACpropyl 2-methoxy-4-propylbenzoate
SMILESCCCOC(=O)c1ccc(CCC)cc1OC
InChIInChI=1S/C14H20O3/c1-4-6-11-7-8-12(13(10-11)16-3)14(15)17-9-5-2/h7-8,10H,4-6,9H2,1-3H3
InChIKeyQXFSHGGPULGDGY-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.21
Rot. Bonds6

About propyl 2-methoxy-4-propylbenzoate

propyl 2-methoxy-4-propylbenzoate (PubChem CID 175548133) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is propyl 2-methoxy-4-propylbenzoate.

Molecular Properties

Compound Namepropyl 2-methoxy-4-propylbenzoate
PubChem CID175548133
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Namepropyl 2-methoxy-4-propylbenzoate
SMILESCCCOC(=O)c1ccc(CCC)cc1OC
InChIInChI=1S/C14H20O3/c1-4-6-11-7-8-12(13(10-11)16-3)14(15)17-9-5-2/h7-8,10H,4-6,9H2,1-3H3
InChIKeyQXFSHGGPULGDGY-UHFFFAOYSA-N
XLogP3.21
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

propyl 4-(cyanomethyl)-2-propoxybenzoate
CID 21261905
ethyl 2-methoxy-4-(2-methylpropyl)benzoate
CID 141306392
propyl 5-fluoro-2-methoxybenzoate
CID 78846828
tetrapropyl naphthalene-1,4,5,8-tetracarboxylate
CID 21270260
4-ethyl-2-methoxybenzoic acid
CID 18687349
propyl 2-carbamoyl-5-ethylbenzoate
CID 57025682
propyl 2,5-diethylbenzoate
CID 22448167
1,2-dimethoxy-4-propylbenzene;methane
CID 159623020
ethane;2-methoxy-4-propylphenol
CID 144852330
propyl 5-chlorosulfonyl-2,4-dimethoxybenzoate
CID 65398639
tris(2-methoxy-4-propylphenol);phosphoric acid
CID 71328492
propyl 2-amino-5-(2-methylsulfonylethyl)benzoate
CID 115326295

Frequently Asked Questions

What is the IUPAC name of propyl 2-methoxy-4-propylbenzoate?
The IUPAC name of propyl 2-methoxy-4-propylbenzoate (CID 175548133) is propyl 2-methoxy-4-propylbenzoate.
What is the SMILES notation for propyl 2-methoxy-4-propylbenzoate?
The canonical SMILES for propyl 2-methoxy-4-propylbenzoate is CCCOC(=O)c1ccc(CCC)cc1OC.
What is the InChIKey of propyl 2-methoxy-4-propylbenzoate?
The InChIKey is QXFSHGGPULGDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-4-6-11-7-8-12(13(10-11)16-3)14(15)17-9-5-2/h7-8,10H,4-6,9H2,1-3H3.
What are the key properties of propyl 2-methoxy-4-propylbenzoate?
propyl 2-methoxy-4-propylbenzoate has a molecular weight of 236.31 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-methoxy-4-propylbenzoate is sourced from PubChem (CID 175548133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).