(2-ethylphenyl) methyl carbonate

C10H12O3 — CID 67179071

IUPAC(2-ethylphenyl) methyl carbonate
SMILESCCc1ccccc1OC(=O)OC
InChIInChI=1S/C10H12O3/c1-3-8-6-4-5-7-9(8)13-10(11)12-2/h4-7H,3H2,1-2H3
InChIKeyIPPHLXDTNAWSMX-UHFFFAOYSA-N
MW180.20 g/mol
LogP2.39
Rot. Bonds2

About (2-ethylphenyl) methyl carbonate

(2-ethylphenyl) methyl carbonate (PubChem CID 67179071) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is (2-ethylphenyl) methyl carbonate.

Molecular Properties

Compound Name(2-ethylphenyl) methyl carbonate
PubChem CID67179071
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name(2-ethylphenyl) methyl carbonate
SMILESCCc1ccccc1OC(=O)OC
InChIInChI=1S/C10H12O3/c1-3-8-6-4-5-7-9(8)13-10(11)12-2/h4-7H,3H2,1-2H3
InChIKeyIPPHLXDTNAWSMX-UHFFFAOYSA-N
XLogP2.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(bromomethyl)phenyl] methyl carbonate
CID 122649168
carboxy (2-ethylphenyl) carbonate
CID 150563443
(2-methoxycarbonyloxyphenyl)methyl-triphenylphosphanium
CID 10791716
methyl 2-(2-ethylphenoxy)propanoate
CID 60643103
methyl (2R)-2-(2-ethylphenoxy)propanoate
CID 103337851
(2-butylphenyl) (2-ethylphenyl) carbonate
CID 19107219
[2-[(5-chloro-2,4-diethylphenoxy)methyl]phenyl] methyl carbonate
CID 122649872
bis(2-propylphenyl) carbonate
CID 66781525
4-(2-ethylphenoxy)-4-oxobutanoic acid
CID 54077022
(2-ethylphenyl) (2-heptylphenyl) carbonate
CID 67179908
[2-[(4-ethyl-2-fluorophenoxy)methyl]phenyl] methyl carbonate
CID 122626621
bis(2-ethylphenyl) 2,2-dimethylpropanedioate
CID 91723973

Frequently Asked Questions

What is the IUPAC name of (2-ethylphenyl) methyl carbonate?
The IUPAC name of (2-ethylphenyl) methyl carbonate (CID 67179071) is (2-ethylphenyl) methyl carbonate.
What is the SMILES notation for (2-ethylphenyl) methyl carbonate?
The canonical SMILES for (2-ethylphenyl) methyl carbonate is CCc1ccccc1OC(=O)OC.
What is the InChIKey of (2-ethylphenyl) methyl carbonate?
The InChIKey is IPPHLXDTNAWSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-3-8-6-4-5-7-9(8)13-10(11)12-2/h4-7H,3H2,1-2H3.
What are the key properties of (2-ethylphenyl) methyl carbonate?
(2-ethylphenyl) methyl carbonate has a molecular weight of 180.20 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylphenyl) methyl carbonate is sourced from PubChem (CID 67179071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).