(3,5-diethylphenyl) methyl carbonate

C12H16O3 — CID 174729067

IUPAC(3,5-diethylphenyl) methyl carbonate
SMILESCCc1cc(CC)cc(OC(=O)OC)c1
InChIInChI=1S/C12H16O3/c1-4-9-6-10(5-2)8-11(7-9)15-12(13)14-3/h6-8H,4-5H2,1-3H3
InChIKeyWTXCZMVNDCEGAG-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.96
Rot. Bonds3

About (3,5-diethylphenyl) methyl carbonate

(3,5-diethylphenyl) methyl carbonate (PubChem CID 174729067) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is (3,5-diethylphenyl) methyl carbonate.

Molecular Properties

Compound Name(3,5-diethylphenyl) methyl carbonate
PubChem CID174729067
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name(3,5-diethylphenyl) methyl carbonate
SMILESCCc1cc(CC)cc(OC(=O)OC)c1
InChIInChI=1S/C12H16O3/c1-4-9-6-10(5-2)8-11(7-9)15-12(13)14-3/h6-8H,4-5H2,1-3H3
InChIKeyWTXCZMVNDCEGAG-UHFFFAOYSA-N
XLogP2.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.96
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

methyl (3,4,5-trihydroxyphenyl) carbonate
CID 58789578
[5-(4-ethylphenyl)-3-pyridinyl] methyl carbonate
CID 66701422
methyl N-(3,5-diethylphenyl)carbamate
CID 13150461
methyl 2-(3,5-dibutylphenoxy)carbonyloxybenzoate
CID 21467781
[4-(4-methoxycarbonyloxyphenoxy)phenyl] methyl carbonate
CID 22123751
bis(4-ethylphenyl) carbonate;carbonic acid
CID 159757999
[4-(4-methoxycarbonyloxybenzoyl)oxyphenyl] 4-methoxycarbonyloxybenzoate
CID 54385395
methyl 4-methoxycarbonyloxybenzoate
CID 584598
methyl (4-octylphenyl) carbonate
CID 118690298
[4-(4-methoxycarbonyloxybenzoyl)oxyphenyl] 4-ethoxybenzoate
CID 58003994
(4-ethoxyphenyl) 4-methoxycarbonyloxybenzoate
CID 14534505
(4-decylphenyl) methyl carbonate
CID 118690238

Frequently Asked Questions

What is the IUPAC name of (3,5-diethylphenyl) methyl carbonate?
The IUPAC name of (3,5-diethylphenyl) methyl carbonate (CID 174729067) is (3,5-diethylphenyl) methyl carbonate.
What is the SMILES notation for (3,5-diethylphenyl) methyl carbonate?
The canonical SMILES for (3,5-diethylphenyl) methyl carbonate is CCc1cc(CC)cc(OC(=O)OC)c1.
What is the InChIKey of (3,5-diethylphenyl) methyl carbonate?
The InChIKey is WTXCZMVNDCEGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-4-9-6-10(5-2)8-11(7-9)15-12(13)14-3/h6-8H,4-5H2,1-3H3.
What are the key properties of (3,5-diethylphenyl) methyl carbonate?
(3,5-diethylphenyl) methyl carbonate has a molecular weight of 208.26 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-diethylphenyl) methyl carbonate is sourced from PubChem (CID 174729067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).