(2,3-dimethoxyphenyl) 2-phenoxyethyl carbonate

C17H18O6 — CID 175405129

IUPAC(2,3-dimethoxyphenyl) 2-phenoxyethyl carbonate
SMILESCOc1cccc(OC(=O)OCCOc2ccccc2)c1OC
InChIInChI=1S/C17H18O6/c1-19-14-9-6-10-15(16(14)20-2)23-17(18)22-12-11-21-13-7-4-3-5-8-13/h3-10H,11-12H2,1-2H3
InChIKeyDZANBDTUWADWBQ-UHFFFAOYSA-N
MW318.33 g/mol
LogP3.30
Rot. Bonds7

About (2,3-dimethoxyphenyl) 2-phenoxyethyl carbonate

(2,3-dimethoxyphenyl) 2-phenoxyethyl carbonate (PubChem CID 175405129) has the molecular formula C17H18O6 and a molecular weight of 318.33 g/mol. Its IUPAC name is (2,3-dimethoxyphenyl) 2-phenoxyethyl carbonate.

Molecular Properties

Compound Name(2,3-dimethoxyphenyl) 2-phenoxyethyl carbonate
PubChem CID175405129
Molecular FormulaC17H18O6
Molecular Weight318.33 g/mol
Exact Mass318.11
IUPAC Name(2,3-dimethoxyphenyl) 2-phenoxyethyl carbonate
SMILESCOc1cccc(OC(=O)OCCOc2ccccc2)c1OC
InChIInChI=1S/C17H18O6/c1-19-14-9-6-10-15(16(14)20-2)23-17(18)22-12-11-21-13-7-4-3-5-8-13/h3-10H,11-12H2,1-2H3
InChIKeyDZANBDTUWADWBQ-UHFFFAOYSA-N
XLogP3.30
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2,3-dimethoxyphenyl) methyl carbonate
CID 19833381
2-phenoxyethyl (4S)-4-(2,3-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7102848
(2,3-dimethoxyphenyl) 3-aminopropanoate
CID 94259654
2-phenoxyethyl 2-[2-(2-methoxyphenoxy)acetyl]oxybenzoate
CID 17138554
2-(3-chlorophenoxy)ethyl 2,3,4-trimethoxybenzoate
CID 16523899
2-(2-methoxyphenoxy)-N-(2-phenoxyethoxy)acetamide
CID 110294693
N-[[3-methoxy-2-(2-phenoxyethoxy)phenyl]methylidene]hydroxylamine
CID 22682151
3-methoxy-2-[2-(4-methylphenoxy)ethoxy]benzoic acid
CID 20991667
1,2,3-trimethoxy-5-(5-phenoxypentoxy)benzene
CID 141201011
2-(2-phenoxyethoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 24549627
2-phenoxyethyl (4R)-6-methyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 40782891
3-[3-methoxy-2-[2-(3-methoxyphenoxy)ethoxy]phenyl]propanoic acid
CID 20992180

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethoxyphenyl) 2-phenoxyethyl carbonate?
The IUPAC name of (2,3-dimethoxyphenyl) 2-phenoxyethyl carbonate (CID 175405129) is (2,3-dimethoxyphenyl) 2-phenoxyethyl carbonate.
What is the SMILES notation for (2,3-dimethoxyphenyl) 2-phenoxyethyl carbonate?
The canonical SMILES for (2,3-dimethoxyphenyl) 2-phenoxyethyl carbonate is COc1cccc(OC(=O)OCCOc2ccccc2)c1OC.
What is the InChIKey of (2,3-dimethoxyphenyl) 2-phenoxyethyl carbonate?
The InChIKey is DZANBDTUWADWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O6/c1-19-14-9-6-10-15(16(14)20-2)23-17(18)22-12-11-21-13-7-4-3-5-8-13/h3-10H,11-12H2,1-2H3.
What are the key properties of (2,3-dimethoxyphenyl) 2-phenoxyethyl carbonate?
(2,3-dimethoxyphenyl) 2-phenoxyethyl carbonate has a molecular weight of 318.33 g/mol, XLogP of 3.30, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethoxyphenyl) 2-phenoxyethyl carbonate is sourced from PubChem (CID 175405129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).