bis(4-formyl-2,6-dimethylphenyl) carbonate

C19H18O5 — CID 10019268

IUPACbis(4-formyl-2,6-dimethylphenyl) carbonate
SMILESCc1cc(C=O)cc(C)c1OC(=O)Oc1c(C)cc(C=O)cc1C
InChIInChI=1S/C19H18O5/c1-11-5-15(9-20)6-12(2)17(11)23-19(22)24-18-13(3)7-16(10-21)8-14(18)4/h5-10H,1-4H3
InChIKeyDHYKDXPVSYXYBK-UHFFFAOYSA-N
MW326.35 g/mol
LogP4.12
Rot. Bonds4

About bis(4-formyl-2,6-dimethylphenyl) carbonate

bis(4-formyl-2,6-dimethylphenyl) carbonate (PubChem CID 10019268) has the molecular formula C19H18O5 and a molecular weight of 326.35 g/mol. Its IUPAC name is bis(4-formyl-2,6-dimethylphenyl) carbonate.

Molecular Properties

Compound Namebis(4-formyl-2,6-dimethylphenyl) carbonate
PubChem CID10019268
Molecular FormulaC19H18O5
Molecular Weight326.35 g/mol
Exact Mass326.12
IUPAC Namebis(4-formyl-2,6-dimethylphenyl) carbonate
SMILESCc1cc(C=O)cc(C)c1OC(=O)Oc1c(C)cc(C=O)cc1C
InChIInChI=1S/C19H18O5/c1-11-5-15(9-20)6-12(2)17(11)23-19(22)24-18-13(3)7-16(10-21)8-14(18)4/h5-10H,1-4H3
InChIKeyDHYKDXPVSYXYBK-UHFFFAOYSA-N
XLogP4.12
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2-acetyloxy-5-formyl-3-methylphenyl) acetate
CID 57482558
(4-ethenyl-2,6-dimethylphenyl) methyl carbonate
CID 58892267
N-(5-formyl-2-methoxy-3-methylphenyl)acetamide
CID 84779465
3,5-dimethyl-4-trimethylsilyloxybenzaldehyde
CID 102090063
4-ethoxy-3,5-dimethylbenzaldehyde
CID 18182978
(E)-3-(4-acetyloxy-3,5-dimethylphenyl)prop-2-enoate
CID 22134835
[4-[2-[4-[4-[2-(3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenoxy]carbonyloxy-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenyl] [4-[2-(3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenyl] carbonate
CID 135272516
4-[10-(4-formyl-2,6-dimethylphenoxy)decoxy]-3,5-dimethylbenzaldehyde
CID 59072946
4-(2-hydroxy-2-methylpropoxy)-3,5-dimethylbenzaldehyde
CID 60884438
3-fluoro-4-methoxy-5-methylbenzaldehyde
CID 83827035
3,5-dimethyl-4-prop-2-enoxybenzaldehyde
CID 28932608
methyl 4-(4-formyl-2,6-dimethylphenoxy)butanoate
CID 43378050

Frequently Asked Questions

What is the IUPAC name of bis(4-formyl-2,6-dimethylphenyl) carbonate?
The IUPAC name of bis(4-formyl-2,6-dimethylphenyl) carbonate (CID 10019268) is bis(4-formyl-2,6-dimethylphenyl) carbonate.
What is the SMILES notation for bis(4-formyl-2,6-dimethylphenyl) carbonate?
The canonical SMILES for bis(4-formyl-2,6-dimethylphenyl) carbonate is Cc1cc(C=O)cc(C)c1OC(=O)Oc1c(C)cc(C=O)cc1C.
What is the InChIKey of bis(4-formyl-2,6-dimethylphenyl) carbonate?
The InChIKey is DHYKDXPVSYXYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O5/c1-11-5-15(9-20)6-12(2)17(11)23-19(22)24-18-13(3)7-16(10-21)8-14(18)4/h5-10H,1-4H3.
What are the key properties of bis(4-formyl-2,6-dimethylphenyl) carbonate?
bis(4-formyl-2,6-dimethylphenyl) carbonate has a molecular weight of 326.35 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-formyl-2,6-dimethylphenyl) carbonate is sourced from PubChem (CID 10019268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).