[3-cyclopropyl-2-[(4-ethylphenoxy)methyl]phenyl] methyl carbonate

C20H22O4 — CID 122649926

IUPAC[3-cyclopropyl-2-[(4-ethylphenoxy)methyl]phenyl] methyl carbonate
SMILESCCc1ccc(OCc2c(OC(=O)OC)cccc2C2CC2)cc1
InChIInChI=1S/C20H22O4/c1-3-14-7-11-16(12-8-14)23-13-18-17(15-9-10-15)5-4-6-19(18)24-20(21)22-2/h4-8,11-12,15H,3,9-10,13H2,1-2H3
InChIKeyATWVZRGUYFBSIZ-UHFFFAOYSA-N
MW326.39 g/mol
LogP4.85
Rot. Bonds6

About [3-cyclopropyl-2-[(4-ethylphenoxy)methyl]phenyl] methyl carbonate

[3-cyclopropyl-2-[(4-ethylphenoxy)methyl]phenyl] methyl carbonate (PubChem CID 122649926) has the molecular formula C20H22O4 and a molecular weight of 326.39 g/mol. Its IUPAC name is [3-cyclopropyl-2-[(4-ethylphenoxy)methyl]phenyl] methyl carbonate.

Molecular Properties

Compound Name[3-cyclopropyl-2-[(4-ethylphenoxy)methyl]phenyl] methyl carbonate
PubChem CID122649926
Molecular FormulaC20H22O4
Molecular Weight326.39 g/mol
Exact Mass326.15
IUPAC Name[3-cyclopropyl-2-[(4-ethylphenoxy)methyl]phenyl] methyl carbonate
SMILESCCc1ccc(OCc2c(OC(=O)OC)cccc2C2CC2)cc1
InChIInChI=1S/C20H22O4/c1-3-14-7-11-16(12-8-14)23-13-18-17(15-9-10-15)5-4-6-19(18)24-20(21)22-2/h4-8,11-12,15H,3,9-10,13H2,1-2H3
InChIKeyATWVZRGUYFBSIZ-UHFFFAOYSA-N
XLogP4.85
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [3-cyclopropyl-2-[(4-ethylphenoxy)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

[3-cyclopropyl-2-[(4-methylphenoxy)methyl]phenyl] methyl carbonate
CID 122645375
[2-[(2-cyclopropyl-4-ethylphenoxy)methyl]-3-iodophenyl] methyl carbonate
CID 122649022
[3-cyclopropyl-2-[(2-fluoro-4,5-dimethylphenoxy)methyl]phenyl] methyl carbonate
CID 122645686
[2-[(2-cyclopropyl-4-ethyl-5-fluorophenoxy)methyl]-3-methylphenyl] methyl carbonate
CID 122649843
[2-[(2-cyclopropyl-5-fluoro-4-methylphenoxy)methyl]-3-methylphenyl] methyl carbonate
CID 122645562
[2-[(2-cyclopropyl-4,5-dimethylphenoxy)methyl]-3-(sulfanylmethyl)phenyl] methyl carbonate
CID 122645764
[3-chloro-2-[(2-cyclopropyl-4-ethylphenoxy)methyl]phenyl] propanoate
CID 122649036
[2-[(2-cyclopropyl-4-ethylphenoxy)methyl]-3-iodophenyl] propanoate
CID 122649048
[2-[(2-cyclopropyl-4-ethylphenoxy)methyl]-3-methylsulfanylphenyl] propanoate
CID 122626838
[3-chloro-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl] methyl carbonate
CID 122649377
[3-chloro-2-[(4-ethyl-3-fluorophenoxy)methyl]phenyl] methyl carbonate
CID 122626609
S-[3-cyclopropyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl] propanethioate
CID 122626928

Frequently Asked Questions

What is the IUPAC name of [3-cyclopropyl-2-[(4-ethylphenoxy)methyl]phenyl] methyl carbonate?
The IUPAC name of [3-cyclopropyl-2-[(4-ethylphenoxy)methyl]phenyl] methyl carbonate (CID 122649926) is [3-cyclopropyl-2-[(4-ethylphenoxy)methyl]phenyl] methyl carbonate.
What is the SMILES notation for [3-cyclopropyl-2-[(4-ethylphenoxy)methyl]phenyl] methyl carbonate?
The canonical SMILES for [3-cyclopropyl-2-[(4-ethylphenoxy)methyl]phenyl] methyl carbonate is CCc1ccc(OCc2c(OC(=O)OC)cccc2C2CC2)cc1.
What is the InChIKey of [3-cyclopropyl-2-[(4-ethylphenoxy)methyl]phenyl] methyl carbonate?
The InChIKey is ATWVZRGUYFBSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O4/c1-3-14-7-11-16(12-8-14)23-13-18-17(15-9-10-15)5-4-6-19(18)24-20(21)22-2/h4-8,11-12,15H,3,9-10,13H2,1-2H3.
What are the key properties of [3-cyclopropyl-2-[(4-ethylphenoxy)methyl]phenyl] methyl carbonate?
[3-cyclopropyl-2-[(4-ethylphenoxy)methyl]phenyl] methyl carbonate has a molecular weight of 326.39 g/mol, XLogP of 4.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-cyclopropyl-2-[(4-ethylphenoxy)methyl]phenyl] methyl carbonate is sourced from PubChem (CID 122649926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).