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

C13H18O3 — CID 14043098

IUPACpropan-2-yl 3-(3-methoxyphenyl)propanoate
SMILESCOc1cccc(CCC(=O)OC(C)C)c1
InChIInChI=1S/C13H18O3/c1-10(2)16-13(14)8-7-11-5-4-6-12(9-11)15-3/h4-6,9-10H,7-8H2,1-3H3
InChIKeyMCAMHNCOVPGFBB-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.58
Rot. Bonds5

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

propan-2-yl 3-(3-methoxyphenyl)propanoate (PubChem CID 14043098) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is propan-2-yl 3-(3-methoxyphenyl)propanoate.

Molecular Properties

Compound Namepropan-2-yl 3-(3-methoxyphenyl)propanoate
PubChem CID14043098
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Namepropan-2-yl 3-(3-methoxyphenyl)propanoate
SMILESCOc1cccc(CCC(=O)OC(C)C)c1
InChIInChI=1S/C13H18O3/c1-10(2)16-13(14)8-7-11-5-4-6-12(9-11)15-3/h4-6,9-10H,7-8H2,1-3H3
InChIKeyMCAMHNCOVPGFBB-UHFFFAOYSA-N
XLogP2.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;1-(3-methoxyphenyl)-4-methylpentan-3-one
CID 142910057
(4-methylphenyl) 3-(3-methoxyphenyl)propanoate
CID 78829897
N-butan-2-yl-3-(3-methoxyphenyl)propanamide
CID 60707029
1-(2,6-dimethylphenyl)-3-(3-methoxyphenyl)propan-1-one
CID 24725838
[4-(3-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]butan-2-yl] butanoate
CID 146481361
4-(3-methoxyphenyl)-1-(methylamino)butan-2-one
CID 112517732
S-ethyl 3-(3-methoxyphenyl)propanethioate
CID 54757271
propan-2-yl 3-(3-methoxyphenyl)butanoate
CID 10799820
(NZ)-N-[1-(3-methoxyphenyl)-4-methylpentan-3-ylidene]hydroxylamine
CID 177423869
5-(3-methoxyphenyl)-2-oxopentanoic acid
CID 57090432
3-(3-methoxyphenyl)-1-(2-methylsulfanylphenyl)propan-1-one
CID 24725827
2-[3-(3-methoxyphenyl)propanoylamino]-4-methylpentanoic acid
CID 43353303

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-(3-methoxyphenyl)propanoate?
The IUPAC name of propan-2-yl 3-(3-methoxyphenyl)propanoate (CID 14043098) is propan-2-yl 3-(3-methoxyphenyl)propanoate.
What is the SMILES notation for propan-2-yl 3-(3-methoxyphenyl)propanoate?
The canonical SMILES for propan-2-yl 3-(3-methoxyphenyl)propanoate is COc1cccc(CCC(=O)OC(C)C)c1.
What is the InChIKey of propan-2-yl 3-(3-methoxyphenyl)propanoate?
The InChIKey is MCAMHNCOVPGFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-10(2)16-13(14)8-7-11-5-4-6-12(9-11)15-3/h4-6,9-10H,7-8H2,1-3H3.
What are the key properties of propan-2-yl 3-(3-methoxyphenyl)propanoate?
propan-2-yl 3-(3-methoxyphenyl)propanoate has a molecular weight of 222.28 g/mol, XLogP of 2.58, 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)propanoate is sourced from PubChem (CID 14043098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).