(6-methoxy-4-prop-2-enylcyclohexa-2,4-dien-1-yl) 2-phenylacetate

C18H20O3 — CID 140554494

IUPAC(6-methoxy-4-prop-2-enylcyclohexa-2,4-dien-1-yl) 2-phenylacetate
SMILESC=CCC1=CC(OC)C(OC(=O)Cc2ccccc2)C=C1
InChIInChI=1S/C18H20O3/c1-3-7-14-10-11-16(17(12-14)20-2)21-18(19)13-15-8-5-4-6-9-15/h3-6,8-12,16-17H,1,7,13H2,2H3
InChIKeyGYNGHSUJADAKMP-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.23
Rot. Bonds6

About (6-methoxy-4-prop-2-enylcyclohexa-2,4-dien-1-yl) 2-phenylacetate

(6-methoxy-4-prop-2-enylcyclohexa-2,4-dien-1-yl) 2-phenylacetate (PubChem CID 140554494) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is (6-methoxy-4-prop-2-enylcyclohexa-2,4-dien-1-yl) 2-phenylacetate.

Molecular Properties

Compound Name(6-methoxy-4-prop-2-enylcyclohexa-2,4-dien-1-yl) 2-phenylacetate
PubChem CID140554494
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name(6-methoxy-4-prop-2-enylcyclohexa-2,4-dien-1-yl) 2-phenylacetate
SMILESC=CCC1=CC(OC)C(OC(=O)Cc2ccccc2)C=C1
InChIInChI=1S/C18H20O3/c1-3-7-14-10-11-16(17(12-14)20-2)21-18(19)13-15-8-5-4-6-9-15/h3-6,8-12,16-17H,1,7,13H2,2H3
InChIKeyGYNGHSUJADAKMP-UHFFFAOYSA-N
XLogP3.23
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (6-methoxy-4-prop-2-enylcyclohexa-2,4-dien-1-yl) 2-phenylacetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-4-prop-2-enylcyclohexa-2,4-dien-1-yl) 2-phenylacetate?
The IUPAC name of (6-methoxy-4-prop-2-enylcyclohexa-2,4-dien-1-yl) 2-phenylacetate (CID 140554494) is (6-methoxy-4-prop-2-enylcyclohexa-2,4-dien-1-yl) 2-phenylacetate.
What is the SMILES notation for (6-methoxy-4-prop-2-enylcyclohexa-2,4-dien-1-yl) 2-phenylacetate?
The canonical SMILES for (6-methoxy-4-prop-2-enylcyclohexa-2,4-dien-1-yl) 2-phenylacetate is C=CCC1=CC(OC)C(OC(=O)Cc2ccccc2)C=C1.
What is the InChIKey of (6-methoxy-4-prop-2-enylcyclohexa-2,4-dien-1-yl) 2-phenylacetate?
The InChIKey is GYNGHSUJADAKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-3-7-14-10-11-16(17(12-14)20-2)21-18(19)13-15-8-5-4-6-9-15/h3-6,8-12,16-17H,1,7,13H2,2H3.
What are the key properties of (6-methoxy-4-prop-2-enylcyclohexa-2,4-dien-1-yl) 2-phenylacetate?
(6-methoxy-4-prop-2-enylcyclohexa-2,4-dien-1-yl) 2-phenylacetate has a molecular weight of 284.36 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-4-prop-2-enylcyclohexa-2,4-dien-1-yl) 2-phenylacetate is sourced from PubChem (CID 140554494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).