methyl 2-(2-butylphenoxy)carbonyloxybenzoate

C19H20O5 — CID 22994750

IUPACmethyl 2-(2-butylphenoxy)carbonyloxybenzoate
SMILESCCCCc1ccccc1OC(=O)Oc1ccccc1C(=O)OC
InChIInChI=1S/C19H20O5/c1-3-4-9-14-10-5-7-12-16(14)23-19(21)24-17-13-8-6-11-15(17)18(20)22-2/h5-8,10-13H,3-4,9H2,1-2H3
InChIKeySZDIXEGIBGKXLK-UHFFFAOYSA-N
MW328.36 g/mol
LogP4.39
Rot. Bonds6

About methyl 2-(2-butylphenoxy)carbonyloxybenzoate

methyl 2-(2-butylphenoxy)carbonyloxybenzoate (PubChem CID 22994750) has the molecular formula C19H20O5 and a molecular weight of 328.36 g/mol. Its IUPAC name is methyl 2-(2-butylphenoxy)carbonyloxybenzoate.

Molecular Properties

Compound Namemethyl 2-(2-butylphenoxy)carbonyloxybenzoate
PubChem CID22994750
Molecular FormulaC19H20O5
Molecular Weight328.36 g/mol
Exact Mass328.13
IUPAC Namemethyl 2-(2-butylphenoxy)carbonyloxybenzoate
SMILESCCCCc1ccccc1OC(=O)Oc1ccccc1C(=O)OC
InChIInChI=1S/C19H20O5/c1-3-4-9-14-10-5-7-12-16(14)23-19(21)24-17-13-8-6-11-15(17)18(20)22-2/h5-8,10-13H,3-4,9H2,1-2H3
InChIKeySZDIXEGIBGKXLK-UHFFFAOYSA-N
XLogP4.39
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 ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(2-hexadecylphenoxy)carbonyloxybenzoate
CID 22994794
(2-butylphenyl) (2-ethylphenyl) carbonate
CID 19107219
methyl 2-(3,5-dibutylphenoxy)carbonyloxybenzoate
CID 21467781
(2-butylphenyl) (2-methylphenyl) carbonate
CID 19107215
(2-ethylphenyl) (2-heptylphenyl) carbonate
CID 67179908
(2-methylphenyl) (2-octylphenyl) carbonate
CID 67181635
bis(2-propylphenyl) carbonate
CID 66781525
bis[2-(3-butoxypropyl)phenyl] carbonate
CID 141468319
methyl 2-(2-hydroxyphenoxy)carbonyloxybenzoate
CID 69027946
(2-butylphenyl) hexyl carbonate
CID 67178148
(2-ethoxyphenyl)methyl hydrogen carbonate;methyl 2-(2-methoxycarbonylphenoxy)carbonyloxybenzoate
CID 159767568
(2-butylphenyl) 3-oxobutanoate
CID 118629065

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-butylphenoxy)carbonyloxybenzoate?
The IUPAC name of methyl 2-(2-butylphenoxy)carbonyloxybenzoate (CID 22994750) is methyl 2-(2-butylphenoxy)carbonyloxybenzoate.
What is the SMILES notation for methyl 2-(2-butylphenoxy)carbonyloxybenzoate?
The canonical SMILES for methyl 2-(2-butylphenoxy)carbonyloxybenzoate is CCCCc1ccccc1OC(=O)Oc1ccccc1C(=O)OC.
What is the InChIKey of methyl 2-(2-butylphenoxy)carbonyloxybenzoate?
The InChIKey is SZDIXEGIBGKXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O5/c1-3-4-9-14-10-5-7-12-16(14)23-19(21)24-17-13-8-6-11-15(17)18(20)22-2/h5-8,10-13H,3-4,9H2,1-2H3.
What are the key properties of methyl 2-(2-butylphenoxy)carbonyloxybenzoate?
methyl 2-(2-butylphenoxy)carbonyloxybenzoate has a molecular weight of 328.36 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-butylphenoxy)carbonyloxybenzoate is sourced from PubChem (CID 22994750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).