bis(2-propylphenyl) carbonate

C19H22O3 — CID 66781525

IUPACbis(2-propylphenyl) carbonate
SMILESCCCc1ccccc1OC(=O)Oc1ccccc1CCC
InChIInChI=1S/C19H22O3/c1-3-9-15-11-5-7-13-17(15)21-19(20)22-18-14-8-6-12-16(18)10-4-2/h5-8,11-14H,3-4,9-10H2,1-2H3
InChIKeyNXWNUSGXRSUNBA-UHFFFAOYSA-N
MW298.38 g/mol
LogP5.17
Rot. Bonds6

About bis(2-propylphenyl) carbonate

bis(2-propylphenyl) carbonate (PubChem CID 66781525) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is bis(2-propylphenyl) carbonate.

Molecular Properties

Compound Namebis(2-propylphenyl) carbonate
PubChem CID66781525
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Namebis(2-propylphenyl) carbonate
SMILESCCCc1ccccc1OC(=O)Oc1ccccc1CCC
InChIInChI=1S/C19H22O3/c1-3-9-15-11-5-7-13-17(15)21-19(20)22-18-14-8-6-12-16(18)10-4-2/h5-8,11-14H,3-4,9-10H2,1-2H3
InChIKeyNXWNUSGXRSUNBA-UHFFFAOYSA-N
XLogP5.17
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.38
LogP ≤ 55.17
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

(2,3-dimethylphenyl) (2-propylphenyl) carbonate
CID 67179085
(2-butylphenyl) (2-ethylphenyl) carbonate
CID 19107219
(2-ethylphenyl) (2-heptylphenyl) carbonate
CID 67179908
(2-butylphenyl) (2-methylphenyl) carbonate
CID 19107215
hexyl (2-propylphenyl) carbonate
CID 67179757
(2-propylphenyl) 2-methylprop-2-enoate
CID 22709190
bis[2-(3-butoxypropyl)phenyl] carbonate
CID 141468319
4-O-(2-fluorophenyl) 1-O-(2-propylphenyl) butanedioate
CID 91735547
(2-methylphenyl) (2-octylphenyl) carbonate
CID 67181635
4-phenylbutyl (2-propylphenyl) carbonate
CID 67258124
7-phenylheptyl (2-propylphenyl) carbonate
CID 67251381
methyl 2-(2-butylphenoxy)carbonyloxybenzoate
CID 22994750

Frequently Asked Questions

What is the IUPAC name of bis(2-propylphenyl) carbonate?
The IUPAC name of bis(2-propylphenyl) carbonate (CID 66781525) is bis(2-propylphenyl) carbonate.
What is the SMILES notation for bis(2-propylphenyl) carbonate?
The canonical SMILES for bis(2-propylphenyl) carbonate is CCCc1ccccc1OC(=O)Oc1ccccc1CCC.
What is the InChIKey of bis(2-propylphenyl) carbonate?
The InChIKey is NXWNUSGXRSUNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O3/c1-3-9-15-11-5-7-13-17(15)21-19(20)22-18-14-8-6-12-16(18)10-4-2/h5-8,11-14H,3-4,9-10H2,1-2H3.
What are the key properties of bis(2-propylphenyl) carbonate?
bis(2-propylphenyl) carbonate has a molecular weight of 298.38 g/mol, XLogP of 5.17, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-propylphenyl) carbonate is sourced from PubChem (CID 66781525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).