ethyl [4-[4-(2-hydroxyethoxy)phenyl]phenyl] carbonate

C17H18O5 — CID 23213034

IUPACethyl [4-[4-(2-hydroxyethoxy)phenyl]phenyl] carbonate
SMILESCCOC(=O)Oc1ccc(-c2ccc(OCCO)cc2)cc1
InChIInChI=1S/C17H18O5/c1-2-20-17(19)22-16-9-5-14(6-10-16)13-3-7-15(8-4-13)21-12-11-18/h3-10,18H,2,11-12H2,1H3
InChIKeyADZFCEFEMPORKK-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.26
Rot. Bonds6

About ethyl [4-[4-(2-hydroxyethoxy)phenyl]phenyl] carbonate

ethyl [4-[4-(2-hydroxyethoxy)phenyl]phenyl] carbonate (PubChem CID 23213034) has the molecular formula C17H18O5 and a molecular weight of 302.33 g/mol. Its IUPAC name is ethyl [4-[4-(2-hydroxyethoxy)phenyl]phenyl] carbonate.

Molecular Properties

Compound Nameethyl [4-[4-(2-hydroxyethoxy)phenyl]phenyl] carbonate
PubChem CID23213034
Molecular FormulaC17H18O5
Molecular Weight302.33 g/mol
Exact Mass302.12
IUPAC Nameethyl [4-[4-(2-hydroxyethoxy)phenyl]phenyl] carbonate
SMILESCCOC(=O)Oc1ccc(-c2ccc(OCCO)cc2)cc1
InChIInChI=1S/C17H18O5/c1-2-20-17(19)22-16-9-5-14(6-10-16)13-3-7-15(8-4-13)21-12-11-18/h3-10,18H,2,11-12H2,1H3
InChIKeyADZFCEFEMPORKK-UHFFFAOYSA-N
XLogP3.26
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl [4-(2-hydroxyethyl)phenyl] carbonate
CID 121224839
4-hydroxybutyl (4-methylphenyl) carbonate
CID 126720991
[4-[4-(4-butoxyphenyl)-1H-pyrrol-2-yl]phenyl] butyl carbonate
CID 57043230
[4-(4-chlorophenoxy)phenyl] ethyl carbonate
CID 146594129
ethyl [4-(methylcarbamoylamino)phenyl] carbonate
CID 108865616
ethyl 5-(2-hydroxyethoxy)-2-iodobenzoate
CID 3737455
CID 162335780
CID 162335780
(4-chlorophenyl) 2-hydroxyethyl carbonate
CID 54130253
2-[4-(3,4-dimethylphenyl)phenoxy]ethanol
CID 82117712
(3,4-dimethylphenyl) ethyl carbonate
CID 19704470
2-(4-methylphenoxy)ethanol;thionyl dichloride
CID 91035331
ethyl [4-(2-iodoacetyl)phenyl] carbonate
CID 89348035

Frequently Asked Questions

What is the IUPAC name of ethyl [4-[4-(2-hydroxyethoxy)phenyl]phenyl] carbonate?
The IUPAC name of ethyl [4-[4-(2-hydroxyethoxy)phenyl]phenyl] carbonate (CID 23213034) is ethyl [4-[4-(2-hydroxyethoxy)phenyl]phenyl] carbonate.
What is the SMILES notation for ethyl [4-[4-(2-hydroxyethoxy)phenyl]phenyl] carbonate?
The canonical SMILES for ethyl [4-[4-(2-hydroxyethoxy)phenyl]phenyl] carbonate is CCOC(=O)Oc1ccc(-c2ccc(OCCO)cc2)cc1.
What is the InChIKey of ethyl [4-[4-(2-hydroxyethoxy)phenyl]phenyl] carbonate?
The InChIKey is ADZFCEFEMPORKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O5/c1-2-20-17(19)22-16-9-5-14(6-10-16)13-3-7-15(8-4-13)21-12-11-18/h3-10,18H,2,11-12H2,1H3.
What are the key properties of ethyl [4-[4-(2-hydroxyethoxy)phenyl]phenyl] carbonate?
ethyl [4-[4-(2-hydroxyethoxy)phenyl]phenyl] carbonate has a molecular weight of 302.33 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl [4-[4-(2-hydroxyethoxy)phenyl]phenyl] carbonate is sourced from PubChem (CID 23213034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).