2,2-dimethylpropanoyl 2-propoxybenzoate

C15H20O4 — CID 174763855

IUPAC2,2-dimethylpropanoyl 2-propoxybenzoate
SMILESCCCOc1ccccc1C(=O)OC(=O)C(C)(C)C
InChIInChI=1S/C15H20O4/c1-5-10-18-12-9-7-6-8-11(12)13(16)19-14(17)15(2,3)4/h6-9H,5,10H2,1-4H3
InChIKeyAPZIQRWQAQJONI-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.20
Rot. Bonds4

About 2,2-dimethylpropanoyl 2-propoxybenzoate

2,2-dimethylpropanoyl 2-propoxybenzoate (PubChem CID 174763855) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2,2-dimethylpropanoyl 2-propoxybenzoate.

Molecular Properties

Compound Name2,2-dimethylpropanoyl 2-propoxybenzoate
PubChem CID174763855
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name2,2-dimethylpropanoyl 2-propoxybenzoate
SMILESCCCOc1ccccc1C(=O)OC(=O)C(C)(C)C
InChIInChI=1S/C15H20O4/c1-5-10-18-12-9-7-6-8-11(12)13(16)19-14(17)15(2,3)4/h6-9H,5,10H2,1-4H3
InChIKeyAPZIQRWQAQJONI-UHFFFAOYSA-N
XLogP3.20
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2,2-dimethylpropanoyl 2-propoxybenzoate 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

carbonic acid;propyl 2-propoxybenzoate
CID 69345278
2,2-dimethyl-1-(2-propoxyphenyl)butan-1-one
CID 115800819
[4-(2-phenylpropan-2-yl)phenoxy]carbonyl 2-propoxybenzoate
CID 87788120
pentyl 2-propoxybenzoate
CID 70564677
2-propoxy-N'-(2-propoxybenzoyl)benzohydrazide
CID 4948435
(2-formylphenyl) 2-propoxybenzoate
CID 23011742
2-(dimethylamino)-2-methyl-1-(2-propoxyphenyl)butan-1-one
CID 113438216
2-amino-3,3,3-trifluoro-2-methyl-1-(2-propoxyphenyl)propan-1-one
CID 116592907
phenyl-(2-propoxyphenyl)methanone
CID 15556308
2-hydroxy-1-(2-propoxyphenyl)butan-1-one
CID 103452946
2-methoxy-3-methyl-1-(2-propoxyphenyl)butan-1-one
CID 116708411
3-(2-propoxybenzoyl)oxybenzoic acid
CID 54854771

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropanoyl 2-propoxybenzoate?
The IUPAC name of 2,2-dimethylpropanoyl 2-propoxybenzoate (CID 174763855) is 2,2-dimethylpropanoyl 2-propoxybenzoate.
What is the SMILES notation for 2,2-dimethylpropanoyl 2-propoxybenzoate?
The canonical SMILES for 2,2-dimethylpropanoyl 2-propoxybenzoate is CCCOc1ccccc1C(=O)OC(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethylpropanoyl 2-propoxybenzoate?
The InChIKey is APZIQRWQAQJONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-5-10-18-12-9-7-6-8-11(12)13(16)19-14(17)15(2,3)4/h6-9H,5,10H2,1-4H3.
What are the key properties of 2,2-dimethylpropanoyl 2-propoxybenzoate?
2,2-dimethylpropanoyl 2-propoxybenzoate has a molecular weight of 264.32 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropanoyl 2-propoxybenzoate is sourced from PubChem (CID 174763855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).