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

C19H20O4 — CID 122645375

IUPAC[3-cyclopropyl-2-[(4-methylphenoxy)methyl]phenyl] methyl carbonate
SMILESCOC(=O)Oc1cccc(C2CC2)c1COc1ccc(C)cc1
InChIInChI=1S/C19H20O4/c1-13-6-10-15(11-7-13)22-12-17-16(14-8-9-14)4-3-5-18(17)23-19(20)21-2/h3-7,10-11,14H,8-9,12H2,1-2H3
InChIKeyDDYQIRSSHACDQM-UHFFFAOYSA-N
MW312.37 g/mol
LogP4.60
Rot. Bonds5

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

[3-cyclopropyl-2-[(4-methylphenoxy)methyl]phenyl] methyl carbonate (PubChem CID 122645375) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is [3-cyclopropyl-2-[(4-methylphenoxy)methyl]phenyl] methyl carbonate.

Molecular Properties

Compound Name[3-cyclopropyl-2-[(4-methylphenoxy)methyl]phenyl] methyl carbonate
PubChem CID122645375
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Name[3-cyclopropyl-2-[(4-methylphenoxy)methyl]phenyl] methyl carbonate
SMILESCOC(=O)Oc1cccc(C2CC2)c1COc1ccc(C)cc1
InChIInChI=1S/C19H20O4/c1-13-6-10-15(11-7-13)22-12-17-16(14-8-9-14)4-3-5-18(17)23-19(20)21-2/h3-7,10-11,14H,8-9,12H2,1-2H3
InChIKeyDDYQIRSSHACDQM-UHFFFAOYSA-N
XLogP4.60
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-cyclopropyl-2-[(4-methylphenoxy)methyl]phenyl] methyl carbonate?
The IUPAC name of [3-cyclopropyl-2-[(4-methylphenoxy)methyl]phenyl] methyl carbonate (CID 122645375) is [3-cyclopropyl-2-[(4-methylphenoxy)methyl]phenyl] methyl carbonate.
What is the SMILES notation for [3-cyclopropyl-2-[(4-methylphenoxy)methyl]phenyl] methyl carbonate?
The canonical SMILES for [3-cyclopropyl-2-[(4-methylphenoxy)methyl]phenyl] methyl carbonate is COC(=O)Oc1cccc(C2CC2)c1COc1ccc(C)cc1.
What is the InChIKey of [3-cyclopropyl-2-[(4-methylphenoxy)methyl]phenyl] methyl carbonate?
The InChIKey is DDYQIRSSHACDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O4/c1-13-6-10-15(11-7-13)22-12-17-16(14-8-9-14)4-3-5-18(17)23-19(20)21-2/h3-7,10-11,14H,8-9,12H2,1-2H3.
What are the key properties of [3-cyclopropyl-2-[(4-methylphenoxy)methyl]phenyl] methyl carbonate?
[3-cyclopropyl-2-[(4-methylphenoxy)methyl]phenyl] methyl carbonate has a molecular weight of 312.37 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-cyclopropyl-2-[(4-methylphenoxy)methyl]phenyl] methyl carbonate is sourced from PubChem (CID 122645375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).