(4-butan-2-yloxycarbonylphenyl) 4-methoxybenzoate

C19H20O5 — CID 144581628

IUPAC(4-butan-2-yloxycarbonylphenyl) 4-methoxybenzoate
SMILESCCC(C)OC(=O)c1ccc(OC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H20O5/c1-4-13(2)23-18(20)14-7-11-17(12-8-14)24-19(21)15-5-9-16(22-3)10-6-15/h5-13H,4H2,1-3H3
InChIKeyFDTPGWBQUZDQJA-UHFFFAOYSA-N
MW328.36 g/mol
LogP3.87
Rot. Bonds6

About (4-butan-2-yloxycarbonylphenyl) 4-methoxybenzoate

(4-butan-2-yloxycarbonylphenyl) 4-methoxybenzoate (PubChem CID 144581628) has the molecular formula C19H20O5 and a molecular weight of 328.36 g/mol. Its IUPAC name is (4-butan-2-yloxycarbonylphenyl) 4-methoxybenzoate.

Molecular Properties

Compound Name(4-butan-2-yloxycarbonylphenyl) 4-methoxybenzoate
PubChem CID144581628
Molecular FormulaC19H20O5
Molecular Weight328.36 g/mol
Exact Mass328.13
IUPAC Name(4-butan-2-yloxycarbonylphenyl) 4-methoxybenzoate
SMILESCCC(C)OC(=O)c1ccc(OC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H20O5/c1-4-13(2)23-18(20)14-7-11-17(12-8-14)24-19(21)15-5-9-16(22-3)10-6-15/h5-13H,4H2,1-3H3
InChIKeyFDTPGWBQUZDQJA-UHFFFAOYSA-N
XLogP3.87
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 ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(4-butan-2-yloxycarbonylphenyl) 4-[(4-methoxyphenyl)methylideneamino]benzoate
CID 102267943
(4-methoxyphenyl) 4-ethoxybenzoate
CID 23011327
(4-octan-2-yloxycarbonylphenyl) 4-(4-methoxyphenyl)benzoate
CID 54071970
[4-(4-methoxybenzoyl)oxyphenyl] 4-ethylbenzoate
CID 118103231
[4-[1-(methylamino)ethoxycarbonyl]phenyl] 4-methoxybenzoate
CID 163496944
2-(4-methoxybenzoyl)oxypropyl 4-methoxybenzoate
CID 90778073
2-(4-methoxybenzoyl)oxybutanoic acid
CID 126720866
pentan-2-yl 4-[[4-(4-methoxybenzoyl)oxyphenyl]methylideneamino]benzoate
CID 102267928
[4-(2-methylbutan-2-yl)phenyl] 4-methoxybenzoate
CID 23010917
[4-[2-(4-methoxyphenyl)ethyl]phenyl] 4-methoxybenzoate
CID 145141089
butan-2-yl 4-methylbenzoate;ethane
CID 157040400
[4-[1,2,2-tris[4-(4-methoxybenzoyl)oxyphenyl]ethyl]phenyl] 4-methoxybenzoate
CID 90143826

Frequently Asked Questions

What is the IUPAC name of (4-butan-2-yloxycarbonylphenyl) 4-methoxybenzoate?
The IUPAC name of (4-butan-2-yloxycarbonylphenyl) 4-methoxybenzoate (CID 144581628) is (4-butan-2-yloxycarbonylphenyl) 4-methoxybenzoate.
What is the SMILES notation for (4-butan-2-yloxycarbonylphenyl) 4-methoxybenzoate?
The canonical SMILES for (4-butan-2-yloxycarbonylphenyl) 4-methoxybenzoate is CCC(C)OC(=O)c1ccc(OC(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of (4-butan-2-yloxycarbonylphenyl) 4-methoxybenzoate?
The InChIKey is FDTPGWBQUZDQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O5/c1-4-13(2)23-18(20)14-7-11-17(12-8-14)24-19(21)15-5-9-16(22-3)10-6-15/h5-13H,4H2,1-3H3.
What are the key properties of (4-butan-2-yloxycarbonylphenyl) 4-methoxybenzoate?
(4-butan-2-yloxycarbonylphenyl) 4-methoxybenzoate has a molecular weight of 328.36 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butan-2-yloxycarbonylphenyl) 4-methoxybenzoate is sourced from PubChem (CID 144581628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).