bis(4-ethyl-3-methylphenyl) carbonate

C19H22O3 — CID 89437335

IUPACbis(4-ethyl-3-methylphenyl) carbonate
SMILESCCc1ccc(OC(=O)Oc2ccc(CC)c(C)c2)cc1C
InChIInChI=1S/C19H22O3/c1-5-15-7-9-17(11-13(15)3)21-19(20)22-18-10-8-16(6-2)14(4)12-18/h7-12H,5-6H2,1-4H3
InChIKeyHWJKJQIXFKRJTJ-UHFFFAOYSA-N
MW298.38 g/mol
LogP5.01
Rot. Bonds4

About bis(4-ethyl-3-methylphenyl) carbonate

bis(4-ethyl-3-methylphenyl) carbonate (PubChem CID 89437335) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is bis(4-ethyl-3-methylphenyl) carbonate.

Molecular Properties

Compound Namebis(4-ethyl-3-methylphenyl) carbonate
PubChem CID89437335
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Namebis(4-ethyl-3-methylphenyl) carbonate
SMILESCCc1ccc(OC(=O)Oc2ccc(CC)c(C)c2)cc1C
InChIInChI=1S/C19H22O3/c1-5-15-7-9-17(11-13(15)3)21-19(20)22-18-10-8-16(6-2)14(4)12-18/h7-12H,5-6H2,1-4H3
InChIKeyHWJKJQIXFKRJTJ-UHFFFAOYSA-N
XLogP5.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.38
LogP ≤ 55.01
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

(4-ethyl-3-methylphenyl) carbamate
CID 3027931
ethane;1-ethyl-4-methoxy-2-methylbenzene
CID 142129466
(3,4-dimethylphenyl) ethyl carbonate
CID 19704470
1-ethyl-2-methyl-4-[(2E)-5-methylhexa-2,4-dien-3-yl]oxybenzene
CID 142206668
carbanide;1-ethyl-4-methoxy-2-methylbenzene;yttrium
CID 161093717
[3-methyl-4-(2-methylpropyl)phenyl] propanoate
CID 151861053
2-(2-methyl-4-propan-2-yloxyphenyl)acetic acid
CID 82264574
(2-methyl-4-phenoxycarbonyloxyphenyl) phenyl carbonate
CID 102274575
bis(4-ethylphenyl) carbonate;carbonic acid
CID 159757999
2-(4-ethyl-3-methylphenoxy)-N,N-dimethylethanamine
CID 163472505
ethane;4-ethyl-3-methylbenzoic acid
CID 144686494
1-ethyl-2,4-dimethylbenzene;propane
CID 143347602

Frequently Asked Questions

What is the IUPAC name of bis(4-ethyl-3-methylphenyl) carbonate?
The IUPAC name of bis(4-ethyl-3-methylphenyl) carbonate (CID 89437335) is bis(4-ethyl-3-methylphenyl) carbonate.
What is the SMILES notation for bis(4-ethyl-3-methylphenyl) carbonate?
The canonical SMILES for bis(4-ethyl-3-methylphenyl) carbonate is CCc1ccc(OC(=O)Oc2ccc(CC)c(C)c2)cc1C.
What is the InChIKey of bis(4-ethyl-3-methylphenyl) carbonate?
The InChIKey is HWJKJQIXFKRJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O3/c1-5-15-7-9-17(11-13(15)3)21-19(20)22-18-10-8-16(6-2)14(4)12-18/h7-12H,5-6H2,1-4H3.
What are the key properties of bis(4-ethyl-3-methylphenyl) carbonate?
bis(4-ethyl-3-methylphenyl) carbonate has a molecular weight of 298.38 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-ethyl-3-methylphenyl) carbonate is sourced from PubChem (CID 89437335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).