[2-[[5-chloro-2-(difluoromethyl)-4-ethylphenoxy]methyl]phenyl] methyl carbonate

C18H17ClF2O4 — CID 122626816

IUPAC[2-[[5-chloro-2-(difluoromethyl)-4-ethylphenoxy]methyl]phenyl] methyl carbonate
SMILESCCc1cc(C(F)F)c(OCc2ccccc2OC(=O)OC)cc1Cl
InChIInChI=1S/C18H17ClF2O4/c1-3-11-8-13(17(20)21)16(9-14(11)19)24-10-12-6-4-5-7-15(12)25-18(22)23-2/h4-9,17H,3,10H2,1-2H3
InChIKeyIOCCTZIDUQEZJJ-UHFFFAOYSA-N
MW370.78 g/mol
LogP5.56
Rot. Bonds6

About [2-[[5-chloro-2-(difluoromethyl)-4-ethylphenoxy]methyl]phenyl] methyl carbonate

[2-[[5-chloro-2-(difluoromethyl)-4-ethylphenoxy]methyl]phenyl] methyl carbonate (PubChem CID 122626816) has the molecular formula C18H17ClF2O4 and a molecular weight of 370.78 g/mol. Its IUPAC name is [2-[[5-chloro-2-(difluoromethyl)-4-ethylphenoxy]methyl]phenyl] methyl carbonate.

Molecular Properties

Compound Name[2-[[5-chloro-2-(difluoromethyl)-4-ethylphenoxy]methyl]phenyl] methyl carbonate
PubChem CID122626816
Molecular FormulaC18H17ClF2O4
Molecular Weight370.78 g/mol
Exact Mass370.08
IUPAC Name[2-[[5-chloro-2-(difluoromethyl)-4-ethylphenoxy]methyl]phenyl] methyl carbonate
SMILESCCc1cc(C(F)F)c(OCc2ccccc2OC(=O)OC)cc1Cl
InChIInChI=1S/C18H17ClF2O4/c1-3-11-8-13(17(20)21)16(9-14(11)19)24-10-12-6-4-5-7-15(12)25-18(22)23-2/h4-9,17H,3,10H2,1-2H3
InChIKeyIOCCTZIDUQEZJJ-UHFFFAOYSA-N
XLogP5.56
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.78
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-Chloro-2-[(4-ethoxyphenyl)methyl]-4-methylbenzene
CID 57558239
Clofoctol, trifluoroacetate
CID 91744536
Clofoctol, pentafluoropropionate
CID 91745330
ethyl (2E,4E,6E,8E)-3,7-dimethyl-9-[2,6-dichloro-3-methyl-4-(trifluoromethoxy)phenyl]-nonatetraenoate
CID 13366432
Ethyl 9-[2,6-dichloro-3-methyl-4-(trifluoromethoxy)phenyl]-3,7-dimethylnona-2,4,6,8-tetraenoate
CID 53832725
Carbonic acid 3'-chloro-6-difluoromethoxy-biphenyl-3-ylmethyl ester methyl ester
CID 57703732
[6-[4-Chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-3,3-difluoro-4,5-dihydroxyoxan-2-yl]methyl ethyl carbonate
CID 58178497
[6-[4-Chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-3,3-difluoro-5-hydroxy-2-(hydroxymethyl)oxan-4-yl] ethyl carbonate
CID 58178505
[6-[4-Chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-3,3-difluoro-4,5-dimethyloxan-2-yl]methyl acetate
CID 58178574
2-(4-Chlorophenyl)-3,3-difluoro-6-pentyl-2,4-dihydrochromene
CID 58660777
1-[(2-Chloro-5-ethenylphenyl)methyl]-4-ethoxy-2,3-difluorobenzene
CID 68015101
Ethyl 3-[4-[3-chloro-2-(trifluoromethyl)phenoxy]phenyl]propanoate
CID 68433604

Frequently Asked Questions

What is the IUPAC name of [2-[[5-chloro-2-(difluoromethyl)-4-ethylphenoxy]methyl]phenyl] methyl carbonate?
The IUPAC name of [2-[[5-chloro-2-(difluoromethyl)-4-ethylphenoxy]methyl]phenyl] methyl carbonate (CID 122626816) is [2-[[5-chloro-2-(difluoromethyl)-4-ethylphenoxy]methyl]phenyl] methyl carbonate.
What is the SMILES notation for [2-[[5-chloro-2-(difluoromethyl)-4-ethylphenoxy]methyl]phenyl] methyl carbonate?
The canonical SMILES for [2-[[5-chloro-2-(difluoromethyl)-4-ethylphenoxy]methyl]phenyl] methyl carbonate is CCc1cc(C(F)F)c(OCc2ccccc2OC(=O)OC)cc1Cl.
What is the InChIKey of [2-[[5-chloro-2-(difluoromethyl)-4-ethylphenoxy]methyl]phenyl] methyl carbonate?
The InChIKey is IOCCTZIDUQEZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF2O4/c1-3-11-8-13(17(20)21)16(9-14(11)19)24-10-12-6-4-5-7-15(12)25-18(22)23-2/h4-9,17H,3,10H2,1-2H3.
What are the key properties of [2-[[5-chloro-2-(difluoromethyl)-4-ethylphenoxy]methyl]phenyl] methyl carbonate?
[2-[[5-chloro-2-(difluoromethyl)-4-ethylphenoxy]methyl]phenyl] methyl carbonate has a molecular weight of 370.78 g/mol, XLogP of 5.56, 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-(difluoromethyl)-4-ethylphenoxy]methyl]phenyl] methyl carbonate is sourced from PubChem (CID 122626816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).