propan-2-yl 4-[(4-methoxybenzoyl)oxymethyl]benzoate

C19H20O5 — CID 925812

IUPACpropan-2-yl 4-[(4-methoxybenzoyl)oxymethyl]benzoate
SMILESCOc1ccc(C(=O)OCc2ccc(C(=O)OC(C)C)cc2)cc1
InChIInChI=1S/C19H20O5/c1-13(2)24-19(21)16-6-4-14(5-7-16)12-23-18(20)15-8-10-17(22-3)11-9-15/h4-11,13H,12H2,1-3H3
InChIKeyWKFZTQWGLCOUCG-UHFFFAOYSA-N
MW328.36 g/mol
LogP3.62
Rot. Bonds6

About propan-2-yl 4-[(4-methoxybenzoyl)oxymethyl]benzoate

propan-2-yl 4-[(4-methoxybenzoyl)oxymethyl]benzoate (PubChem CID 925812) has the molecular formula C19H20O5 and a molecular weight of 328.36 g/mol. Its IUPAC name is propan-2-yl 4-[(4-methoxybenzoyl)oxymethyl]benzoate.

Molecular Properties

Compound Namepropan-2-yl 4-[(4-methoxybenzoyl)oxymethyl]benzoate
PubChem CID925812
Molecular FormulaC19H20O5
Molecular Weight328.36 g/mol
Exact Mass328.13
IUPAC Namepropan-2-yl 4-[(4-methoxybenzoyl)oxymethyl]benzoate
SMILESCOc1ccc(C(=O)OCc2ccc(C(=O)OC(C)C)cc2)cc1
InChIInChI=1S/C19H20O5/c1-13(2)24-19(21)16-6-4-14(5-7-16)12-23-18(20)15-8-10-17(22-3)11-9-15/h4-11,13H,12H2,1-3H3
InChIKeyWKFZTQWGLCOUCG-UHFFFAOYSA-N
XLogP3.62
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl 4-[(4-bromobenzoyl)oxymethyl]benzoate
CID 1305384
(4-methoxyphenyl)methyl 4-(4-hydroxyphenyl)benzoate
CID 16577371
2-(4-methoxybenzoyl)oxypropyl 4-methoxybenzoate
CID 90778073
(4-propan-2-yloxycarbonylphenyl)methyl naphthalene-1-carboxylate
CID 925814
propan-2-yl 4-[(4-benzamidobenzoyl)oxymethyl]benzoate
CID 2199290
[4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl 4-(carbamoylamino)benzoate
CID 24558009
[1-amino-2-(4-methoxyphenyl)ethyl] 4-methoxybenzoate
CID 56996314
propan-2-yl (2S)-2-[(4-methoxyphenyl)methoxy]propanoate
CID 141491206
propan-2-yl 4-ethylbenzoate
CID 583760
propan-2-yl 4-[(4-chlorophenyl)methoxy]benzoate
CID 82186223
(4-bromophenyl)methyl 4-[(4-methoxybenzoyl)amino]benzoate
CID 1214009
propan-2-yl 4-(phenoxymethyl)benzoate
CID 55357147

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[(4-methoxybenzoyl)oxymethyl]benzoate?
The IUPAC name of propan-2-yl 4-[(4-methoxybenzoyl)oxymethyl]benzoate (CID 925812) is propan-2-yl 4-[(4-methoxybenzoyl)oxymethyl]benzoate.
What is the SMILES notation for propan-2-yl 4-[(4-methoxybenzoyl)oxymethyl]benzoate?
The canonical SMILES for propan-2-yl 4-[(4-methoxybenzoyl)oxymethyl]benzoate is COc1ccc(C(=O)OCc2ccc(C(=O)OC(C)C)cc2)cc1.
What is the InChIKey of propan-2-yl 4-[(4-methoxybenzoyl)oxymethyl]benzoate?
The InChIKey is WKFZTQWGLCOUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O5/c1-13(2)24-19(21)16-6-4-14(5-7-16)12-23-18(20)15-8-10-17(22-3)11-9-15/h4-11,13H,12H2,1-3H3.
What are the key properties of propan-2-yl 4-[(4-methoxybenzoyl)oxymethyl]benzoate?
propan-2-yl 4-[(4-methoxybenzoyl)oxymethyl]benzoate has a molecular weight of 328.36 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[(4-methoxybenzoyl)oxymethyl]benzoate is sourced from PubChem (CID 925812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).