(2-butylphenyl) (2-ethylphenyl) carbonate

C19H22O3 — CID 19107219

IUPAC(2-butylphenyl) (2-ethylphenyl) carbonate
SMILESCCCCc1ccccc1OC(=O)Oc1ccccc1CC
InChIInChI=1S/C19H22O3/c1-3-5-10-16-12-7-9-14-18(16)22-19(20)21-17-13-8-6-11-15(17)4-2/h6-9,11-14H,3-5,10H2,1-2H3
InChIKeyQIEDLHJUKZMJHA-UHFFFAOYSA-N
MW298.38 g/mol
LogP5.17
Rot. Bonds6

About (2-butylphenyl) (2-ethylphenyl) carbonate

(2-butylphenyl) (2-ethylphenyl) carbonate (PubChem CID 19107219) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is (2-butylphenyl) (2-ethylphenyl) carbonate.

Molecular Properties

Compound Name(2-butylphenyl) (2-ethylphenyl) carbonate
PubChem CID19107219
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Name(2-butylphenyl) (2-ethylphenyl) carbonate
SMILESCCCCc1ccccc1OC(=O)Oc1ccccc1CC
InChIInChI=1S/C19H22O3/c1-3-5-10-16-12-7-9-14-18(16)22-19(20)21-17-13-8-6-11-15(17)4-2/h6-9,11-14H,3-5,10H2,1-2H3
InChIKeyQIEDLHJUKZMJHA-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-ethylphenyl) (2-heptylphenyl) carbonate
CID 67179908
(2-butylphenyl) (2-methylphenyl) carbonate
CID 19107215
(2-methylphenyl) (2-octylphenyl) carbonate
CID 67181635
bis(2-propylphenyl) carbonate
CID 66781525
bis[2-(3-butoxypropyl)phenyl] carbonate
CID 141468319
methyl 2-(2-butylphenoxy)carbonyloxybenzoate
CID 22994750
(2-butylphenyl) hexyl carbonate
CID 67178148
ethyl (2-heptylphenyl) carbonate
CID 67181360
(2-butylphenyl) 2-phenylethyl carbonate
CID 118690309
octyl (2-pentylphenyl) carbonate
CID 67181173
butyl (2-decylphenyl) carbonate
CID 67182932
(2-pentylphenyl) hydrogen carbonate
CID 66866102

Frequently Asked Questions

What is the IUPAC name of (2-butylphenyl) (2-ethylphenyl) carbonate?
The IUPAC name of (2-butylphenyl) (2-ethylphenyl) carbonate (CID 19107219) is (2-butylphenyl) (2-ethylphenyl) carbonate.
What is the SMILES notation for (2-butylphenyl) (2-ethylphenyl) carbonate?
The canonical SMILES for (2-butylphenyl) (2-ethylphenyl) carbonate is CCCCc1ccccc1OC(=O)Oc1ccccc1CC.
What is the InChIKey of (2-butylphenyl) (2-ethylphenyl) carbonate?
The InChIKey is QIEDLHJUKZMJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O3/c1-3-5-10-16-12-7-9-14-18(16)22-19(20)21-17-13-8-6-11-15(17)4-2/h6-9,11-14H,3-5,10H2,1-2H3.
What are the key properties of (2-butylphenyl) (2-ethylphenyl) carbonate?
(2-butylphenyl) (2-ethylphenyl) 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 (2-butylphenyl) (2-ethylphenyl) carbonate is sourced from PubChem (CID 19107219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).