carboxy (2-ethylphenyl) carbonate

C10H10O5 — CID 150563443

IUPACcarboxy (2-ethylphenyl) carbonate
SMILESCCc1ccccc1OC(=O)OC(=O)O
InChIInChI=1S/C10H10O5/c1-2-7-5-3-4-6-8(7)14-10(13)15-9(11)12/h3-6H,2H2,1H3,(H,11,12)
InChIKeyIKIKHPRHKSKMFL-UHFFFAOYSA-N
MW210.19 g/mol
LogP2.44
Rot. Bonds2

About carboxy (2-ethylphenyl) carbonate

carboxy (2-ethylphenyl) carbonate (PubChem CID 150563443) has the molecular formula C10H10O5 and a molecular weight of 210.19 g/mol. Its IUPAC name is carboxy (2-ethylphenyl) carbonate.

Molecular Properties

Compound Namecarboxy (2-ethylphenyl) carbonate
PubChem CID150563443
Molecular FormulaC10H10O5
Molecular Weight210.19 g/mol
Exact Mass210.05
IUPAC Namecarboxy (2-ethylphenyl) carbonate
SMILESCCc1ccccc1OC(=O)OC(=O)O
InChIInChI=1S/C10H10O5/c1-2-7-5-3-4-6-8(7)14-10(13)15-9(11)12/h3-6H,2H2,1H3,(H,11,12)
InChIKeyIKIKHPRHKSKMFL-UHFFFAOYSA-N
XLogP2.44
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-ethylphenyl) methyl carbonate
CID 67179071
2-(2-ethoxycarbonyloxyphenyl)acetic acid
CID 122517223
(2-butylphenyl) (2-ethylphenyl) carbonate
CID 19107219
bis(2-propylphenyl) carbonate
CID 66781525
4-(2-ethylphenoxy)-4-oxobutanoic acid
CID 54077022
(2-ethylphenyl) (2-heptylphenyl) carbonate
CID 67179908
bis(2-ethylphenyl) 2,2-dimethylpropanedioate
CID 91723973
(2-ethylphenyl) 2-methylbut-2-enoate
CID 175294734
(2-ethylphenyl) 2,2-dimethylbutanoate
CID 174752063
8-(2-ethylphenoxy)-8-oxooctanoic acid
CID 152546684
[2-(hydroxymethyl)phenyl] propanoate
CID 57284127
(2-pentylphenyl) hydrogen carbonate
CID 66866102

Frequently Asked Questions

What is the IUPAC name of carboxy (2-ethylphenyl) carbonate?
The IUPAC name of carboxy (2-ethylphenyl) carbonate (CID 150563443) is carboxy (2-ethylphenyl) carbonate.
What is the SMILES notation for carboxy (2-ethylphenyl) carbonate?
The canonical SMILES for carboxy (2-ethylphenyl) carbonate is CCc1ccccc1OC(=O)OC(=O)O.
What is the InChIKey of carboxy (2-ethylphenyl) carbonate?
The InChIKey is IKIKHPRHKSKMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O5/c1-2-7-5-3-4-6-8(7)14-10(13)15-9(11)12/h3-6H,2H2,1H3,(H,11,12).
What are the key properties of carboxy (2-ethylphenyl) carbonate?
carboxy (2-ethylphenyl) carbonate has a molecular weight of 210.19 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carboxy (2-ethylphenyl) carbonate is sourced from PubChem (CID 150563443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).