propan-2-yl 3-(3-methoxyphenyl)butanoate

C14H20O3 — CID 10799820

IUPACpropan-2-yl 3-(3-methoxyphenyl)butanoate
SMILESCOc1cccc(C(C)CC(=O)OC(C)C)c1
InChIInChI=1S/C14H20O3/c1-10(2)17-14(15)8-11(3)12-6-5-7-13(9-12)16-4/h5-7,9-11H,8H2,1-4H3
InChIKeyCHMKIVUTXLNLGR-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.14
Rot. Bonds5

About propan-2-yl 3-(3-methoxyphenyl)butanoate

propan-2-yl 3-(3-methoxyphenyl)butanoate (PubChem CID 10799820) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is propan-2-yl 3-(3-methoxyphenyl)butanoate.

Molecular Properties

Compound Namepropan-2-yl 3-(3-methoxyphenyl)butanoate
PubChem CID10799820
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Namepropan-2-yl 3-(3-methoxyphenyl)butanoate
SMILESCOc1cccc(C(C)CC(=O)OC(C)C)c1
InChIInChI=1S/C14H20O3/c1-10(2)17-14(15)8-11(3)12-6-5-7-13(9-12)16-4/h5-7,9-11H,8H2,1-4H3
InChIKeyCHMKIVUTXLNLGR-UHFFFAOYSA-N
XLogP3.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze propan-2-yl 3-(3-methoxyphenyl)butanoate 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

5-(3-methoxyphenyl)hexan-2-one
CID 83928904
1-cyclohexyl-3-(3-methoxyphenyl)butan-1-one
CID 123909157
propan-2-yl 3-(3-methoxyphenyl)propanoate
CID 14043098
2-(3-methoxyphenyl)-1-(4-methoxyphenyl)propan-1-one
CID 71423704
2-(3-methoxyphenyl)propane-1-thiol
CID 20523012
3-(3-methoxyphenyl)-1-piperazin-1-ylbutan-1-one
CID 82090911
N-butyl-3-(3-methoxyphenyl)-N-methylbutanamide
CID 110675714
N-[2-(ethylamino)ethyl]-3-(3-methoxyphenyl)butanamide
CID 119508296
propan-2-yl 3-[[3-(carbamoylamino)-3-(3-methylphenyl)propanoyl]amino]-3-(4-methoxyphenyl)propanoate
CID 42953375
propan-2-yl 3-(4-methoxyphenoxy)butanoate
CID 146594244
(4R)-4-hydroxy-4-(3-methoxyphenyl)butan-2-one
CID 101411477
methyl 3-(dimethylamino)-3-(3-methoxyphenyl)propanoate
CID 116910243

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-(3-methoxyphenyl)butanoate?
The IUPAC name of propan-2-yl 3-(3-methoxyphenyl)butanoate (CID 10799820) is propan-2-yl 3-(3-methoxyphenyl)butanoate.
What is the SMILES notation for propan-2-yl 3-(3-methoxyphenyl)butanoate?
The canonical SMILES for propan-2-yl 3-(3-methoxyphenyl)butanoate is COc1cccc(C(C)CC(=O)OC(C)C)c1.
What is the InChIKey of propan-2-yl 3-(3-methoxyphenyl)butanoate?
The InChIKey is CHMKIVUTXLNLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-10(2)17-14(15)8-11(3)12-6-5-7-13(9-12)16-4/h5-7,9-11H,8H2,1-4H3.
What are the key properties of propan-2-yl 3-(3-methoxyphenyl)butanoate?
propan-2-yl 3-(3-methoxyphenyl)butanoate has a molecular weight of 236.31 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-(3-methoxyphenyl)butanoate is sourced from PubChem (CID 10799820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).