[2-methoxy-4-[(Z)-prop-1-enyl]phenyl] 2-phenylacetate

C18H18O3 — CID 20835508

IUPAC[2-methoxy-4-[(Z)-prop-1-enyl]phenyl] 2-phenylacetate
SMILESC/C=C\c1ccc(OC(=O)Cc2ccccc2)c(OC)c1
InChIInChI=1S/C18H18O3/c1-3-7-14-10-11-16(17(12-14)20-2)21-18(19)13-15-8-5-4-6-9-15/h3-12H,13H2,1-2H3/b7-3-
InChIKeyYYLCMLYMJHKLEJ-CLTKARDFSA-N
MW282.34 g/mol
LogP3.88
Rot. Bonds5

About [2-methoxy-4-[(Z)-prop-1-enyl]phenyl] 2-phenylacetate

[2-methoxy-4-[(Z)-prop-1-enyl]phenyl] 2-phenylacetate (PubChem CID 20835508) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is [2-methoxy-4-[(Z)-prop-1-enyl]phenyl] 2-phenylacetate.

Molecular Properties

Compound Name[2-methoxy-4-[(Z)-prop-1-enyl]phenyl] 2-phenylacetate
PubChem CID20835508
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name[2-methoxy-4-[(Z)-prop-1-enyl]phenyl] 2-phenylacetate
SMILESC/C=C\c1ccc(OC(=O)Cc2ccccc2)c(OC)c1
InChIInChI=1S/C18H18O3/c1-3-7-14-10-11-16(17(12-14)20-2)21-18(19)13-15-8-5-4-6-9-15/h3-12H,13H2,1-2H3/b7-3-
InChIKeyYYLCMLYMJHKLEJ-CLTKARDFSA-N
XLogP3.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-methoxy-4-[(Z)-prop-1-enyl]phenyl] 2-phenylacetate?
The IUPAC name of [2-methoxy-4-[(Z)-prop-1-enyl]phenyl] 2-phenylacetate (CID 20835508) is [2-methoxy-4-[(Z)-prop-1-enyl]phenyl] 2-phenylacetate.
What is the SMILES notation for [2-methoxy-4-[(Z)-prop-1-enyl]phenyl] 2-phenylacetate?
The canonical SMILES for [2-methoxy-4-[(Z)-prop-1-enyl]phenyl] 2-phenylacetate is C/C=C\c1ccc(OC(=O)Cc2ccccc2)c(OC)c1.
What is the InChIKey of [2-methoxy-4-[(Z)-prop-1-enyl]phenyl] 2-phenylacetate?
The InChIKey is YYLCMLYMJHKLEJ-CLTKARDFSA-N. The full InChI is InChI=1S/C18H18O3/c1-3-7-14-10-11-16(17(12-14)20-2)21-18(19)13-15-8-5-4-6-9-15/h3-12H,13H2,1-2H3/b7-3-.
What are the key properties of [2-methoxy-4-[(Z)-prop-1-enyl]phenyl] 2-phenylacetate?
[2-methoxy-4-[(Z)-prop-1-enyl]phenyl] 2-phenylacetate has a molecular weight of 282.34 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-4-[(Z)-prop-1-enyl]phenyl] 2-phenylacetate is sourced from PubChem (CID 20835508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).