ethyl 1-phenylethenyl carbonate

C11H12O3 — CID 10081285

IUPACethyl 1-phenylethenyl carbonate
SMILESC=C(OC(=O)OCC)c1ccccc1
InChIInChI=1S/C11H12O3/c1-3-13-11(12)14-9(2)10-7-5-4-6-8-10/h4-8H,2-3H2,1H3
InChIKeyUSDIRMYWLCBXNW-UHFFFAOYSA-N
MW192.21 g/mol
LogP2.83
Rot. Bonds3

About ethyl 1-phenylethenyl carbonate

ethyl 1-phenylethenyl carbonate (PubChem CID 10081285) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is ethyl 1-phenylethenyl carbonate.

Molecular Properties

Compound Nameethyl 1-phenylethenyl carbonate
PubChem CID10081285
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Nameethyl 1-phenylethenyl carbonate
SMILESC=C(OC(=O)OCC)c1ccccc1
InChIInChI=1S/C11H12O3/c1-3-13-11(12)14-9(2)10-7-5-4-6-8-10/h4-8H,2-3H2,1H3
InChIKeyUSDIRMYWLCBXNW-UHFFFAOYSA-N
XLogP2.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze ethyl 1-phenylethenyl carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-but-1-en-2-yloxyethenylbenzene
CID 147866453
bis(1-phenylethenyl) propanedioate
CID 89421618
benzoyl benzoate;2-ethoxyprop-2-enoic acid
CID 175592406
ethyl [(E)-1-phenylpropylideneamino] carbonate
CID 134874580
CID 158970570
CID 158970570
1-phenylethenyl 2-chloroacetate
CID 13032777
bis(1-phenylethenyl) (Z)-but-2-enedioate
CID 174301513
ethyl 2-oxo-2-phenylacetate
CID 15349
(1-ethoxyethenylamino) benzoate
CID 123459166
ethyl 2-phenylprop-2-enoate;2-methylprop-2-enoic acid
CID 70039514
ethyl (2R)-2-hydroxy-4-phenylpent-4-enoate
CID 11020407
ethyl benzoate;toluene
CID 23150750

Frequently Asked Questions

What is the IUPAC name of ethyl 1-phenylethenyl carbonate?
The IUPAC name of ethyl 1-phenylethenyl carbonate (CID 10081285) is ethyl 1-phenylethenyl carbonate.
What is the SMILES notation for ethyl 1-phenylethenyl carbonate?
The canonical SMILES for ethyl 1-phenylethenyl carbonate is C=C(OC(=O)OCC)c1ccccc1.
What is the InChIKey of ethyl 1-phenylethenyl carbonate?
The InChIKey is USDIRMYWLCBXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-3-13-11(12)14-9(2)10-7-5-4-6-8-10/h4-8H,2-3H2,1H3.
What are the key properties of ethyl 1-phenylethenyl carbonate?
ethyl 1-phenylethenyl carbonate has a molecular weight of 192.21 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-phenylethenyl carbonate is sourced from PubChem (CID 10081285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).