bis(2-cyclopropyl-4-propylphenyl) carbonate

C25H30O3 — CID 139767428

IUPACbis(2-cyclopropyl-4-propylphenyl) carbonate
SMILESCCCc1ccc(OC(=O)Oc2ccc(CCC)cc2C2CC2)c(C2CC2)c1
InChIInChI=1S/C25H30O3/c1-3-5-17-7-13-23(21(15-17)19-9-10-19)27-25(26)28-24-14-8-18(6-4-2)16-22(24)20-11-12-20/h7-8,13-16,19-20H,3-6,9-12H2,1-2H3
InChIKeyQEUJDBAHEKUJJV-UHFFFAOYSA-N
MW378.51 g/mol
LogP6.92
Rot. Bonds8

About bis(2-cyclopropyl-4-propylphenyl) carbonate

bis(2-cyclopropyl-4-propylphenyl) carbonate (PubChem CID 139767428) has the molecular formula C25H30O3 and a molecular weight of 378.51 g/mol. Its IUPAC name is bis(2-cyclopropyl-4-propylphenyl) carbonate.

Molecular Properties

Compound Namebis(2-cyclopropyl-4-propylphenyl) carbonate
PubChem CID139767428
Molecular FormulaC25H30O3
Molecular Weight378.51 g/mol
Exact Mass378.22
IUPAC Namebis(2-cyclopropyl-4-propylphenyl) carbonate
SMILESCCCc1ccc(OC(=O)Oc2ccc(CCC)cc2C2CC2)c(C2CC2)c1
InChIInChI=1S/C25H30O3/c1-3-5-17-7-13-23(21(15-17)19-9-10-19)27-25(26)28-24-14-8-18(6-4-2)16-22(24)20-11-12-20/h7-8,13-16,19-20H,3-6,9-12H2,1-2H3
InChIKeyQEUJDBAHEKUJJV-UHFFFAOYSA-N
XLogP6.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.51
LogP ≤ 56.92
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-cyclopentyl-4-propylphenol
CID 70792894
2-cyclohexyl-1-ethyl-4-propylbenzene
CID 154394509
bis[2,4-di(nonyl)phenyl] carbonate
CID 141039917
[2-[(2-cyclopropyl-4-ethylphenoxy)methyl]-3-iodophenyl] methyl carbonate
CID 122649022
ethyl 2-(6-propyl-1,2,3,4-tetrahydroquinolin-4-yl)acetate
CID 165473127
(2-cyano-4-propylphenyl) cyclohexanecarboxylate
CID 151702628
bis[4-butyl-2-(4-propylphenyl)phenyl] cyclohexane-1,4-dicarboxylate
CID 54490440
1,2-diethoxy-4-propylbenzene
CID 3995471
1,2-dimethoxy-4-propylbenzene;methane
CID 159623020
O-[2-(3-cyclohexyl-4-methoxyphenyl)ethyl]hydroxylamine
CID 117377552
2-(3-cyclohexyl-4-ethoxyphenyl)ethanamine
CID 170888196
N-[[4-methoxy-3-(4-methylcyclohexyl)phenyl]methyl]hydroxylamine
CID 117377485

Frequently Asked Questions

What is the IUPAC name of bis(2-cyclopropyl-4-propylphenyl) carbonate?
The IUPAC name of bis(2-cyclopropyl-4-propylphenyl) carbonate (CID 139767428) is bis(2-cyclopropyl-4-propylphenyl) carbonate.
What is the SMILES notation for bis(2-cyclopropyl-4-propylphenyl) carbonate?
The canonical SMILES for bis(2-cyclopropyl-4-propylphenyl) carbonate is CCCc1ccc(OC(=O)Oc2ccc(CCC)cc2C2CC2)c(C2CC2)c1.
What is the InChIKey of bis(2-cyclopropyl-4-propylphenyl) carbonate?
The InChIKey is QEUJDBAHEKUJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30O3/c1-3-5-17-7-13-23(21(15-17)19-9-10-19)27-25(26)28-24-14-8-18(6-4-2)16-22(24)20-11-12-20/h7-8,13-16,19-20H,3-6,9-12H2,1-2H3.
What are the key properties of bis(2-cyclopropyl-4-propylphenyl) carbonate?
bis(2-cyclopropyl-4-propylphenyl) carbonate has a molecular weight of 378.51 g/mol, XLogP of 6.92, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-cyclopropyl-4-propylphenyl) carbonate is sourced from PubChem (CID 139767428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).