[2-[(5-chloro-2,4-diethylphenoxy)methyl]phenyl] methyl carbonate

C19H21ClO4 — CID 122649872

IUPAC[2-[(5-chloro-2,4-diethylphenoxy)methyl]phenyl] methyl carbonate
SMILESCCc1cc(CC)c(OCc2ccccc2OC(=O)OC)cc1Cl
InChIInChI=1S/C19H21ClO4/c1-4-13-10-14(5-2)18(11-16(13)20)23-12-15-8-6-7-9-17(15)24-19(21)22-3/h6-11H,4-5,12H2,1-3H3
InChIKeyRDDSRXRJXRXZGV-UHFFFAOYSA-N
MW348.83 g/mol
LogP5.19
Rot. Bonds6

About [2-[(5-chloro-2,4-diethylphenoxy)methyl]phenyl] methyl carbonate

[2-[(5-chloro-2,4-diethylphenoxy)methyl]phenyl] methyl carbonate (PubChem CID 122649872) has the molecular formula C19H21ClO4 and a molecular weight of 348.83 g/mol. Its IUPAC name is [2-[(5-chloro-2,4-diethylphenoxy)methyl]phenyl] methyl carbonate.

Molecular Properties

Compound Name[2-[(5-chloro-2,4-diethylphenoxy)methyl]phenyl] methyl carbonate
PubChem CID122649872
Molecular FormulaC19H21ClO4
Molecular Weight348.83 g/mol
Exact Mass348.11
IUPAC Name[2-[(5-chloro-2,4-diethylphenoxy)methyl]phenyl] methyl carbonate
SMILESCCc1cc(CC)c(OCc2ccccc2OC(=O)OC)cc1Cl
InChIInChI=1S/C19H21ClO4/c1-4-13-10-14(5-2)18(11-16(13)20)23-12-15-8-6-7-9-17(15)24-19(21)22-3/h6-11H,4-5,12H2,1-3H3
InChIKeyRDDSRXRJXRXZGV-UHFFFAOYSA-N
XLogP5.19
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.83
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [2-[(5-chloro-2,4-diethylphenoxy)methyl]phenyl] methyl carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[(2,5-dichloro-4-methylphenoxy)methyl]phenyl] methyl carbonate
CID 122645598
[2-[(5-chloro-2-fluoro-4-methylphenoxy)methyl]phenyl] methyl carbonate
CID 122645579
(2-ethylphenyl) methyl carbonate
CID 67179071
[2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]-3-ethoxyphenyl] methyl carbonate
CID 122645628
[2-[(2-bromo-5-chloro-4-ethylphenoxy)methyl]-3-ethoxyphenyl] methyl carbonate
CID 122649200
[2-[(4-ethyl-2-fluorophenoxy)methyl]phenyl] methyl carbonate
CID 122626621
[2-[(5-chloro-4-ethyl-2-methylphenoxy)methyl]-3-methylsulfanylphenyl] methyl carbonate
CID 122649969
[3-bromo-2-[(5-chloro-2,4-diethylphenoxy)methyl]phenyl] propanoate
CID 126604240
[3-bromo-2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]phenyl] methyl carbonate;[3-chloro-2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]phenyl] methyl carbonate;[2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]-3-fluorophenyl] methyl carbonate;[2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]-3-iodophenyl] methyl carbonate;[2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]-3-methylphenyl] methyl carbonate;[2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]phenyl] methyl carbonate
CID 160898844
[2-[(2-ethyl-4,5-dimethylphenoxy)methyl]-3-methylphenyl] methyl carbonate
CID 122645722
[2-[(2-cyclopropyl-4,5-dimethylphenoxy)methyl]phenyl] methyl carbonate
CID 122645757
[2-(bromomethyl)phenyl] methyl carbonate
CID 122649168

Frequently Asked Questions

What is the IUPAC name of [2-[(5-chloro-2,4-diethylphenoxy)methyl]phenyl] methyl carbonate?
The IUPAC name of [2-[(5-chloro-2,4-diethylphenoxy)methyl]phenyl] methyl carbonate (CID 122649872) is [2-[(5-chloro-2,4-diethylphenoxy)methyl]phenyl] methyl carbonate.
What is the SMILES notation for [2-[(5-chloro-2,4-diethylphenoxy)methyl]phenyl] methyl carbonate?
The canonical SMILES for [2-[(5-chloro-2,4-diethylphenoxy)methyl]phenyl] methyl carbonate is CCc1cc(CC)c(OCc2ccccc2OC(=O)OC)cc1Cl.
What is the InChIKey of [2-[(5-chloro-2,4-diethylphenoxy)methyl]phenyl] methyl carbonate?
The InChIKey is RDDSRXRJXRXZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClO4/c1-4-13-10-14(5-2)18(11-16(13)20)23-12-15-8-6-7-9-17(15)24-19(21)22-3/h6-11H,4-5,12H2,1-3H3.
What are the key properties of [2-[(5-chloro-2,4-diethylphenoxy)methyl]phenyl] methyl carbonate?
[2-[(5-chloro-2,4-diethylphenoxy)methyl]phenyl] methyl carbonate has a molecular weight of 348.83 g/mol, XLogP of 5.19, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-chloro-2,4-diethylphenoxy)methyl]phenyl] methyl carbonate is sourced from PubChem (CID 122649872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).