(7-methoxy-3-methyl-2-phenyl-3,4-dihydro-2H-chromen-6-yl) acetate

C19H20O4 — CID 154203925

IUPAC(7-methoxy-3-methyl-2-phenyl-3,4-dihydro-2H-chromen-6-yl) acetate
SMILESCOc1cc2c(cc1OC(C)=O)CC(C)C(c1ccccc1)O2
InChIInChI=1S/C19H20O4/c1-12-9-15-10-18(22-13(2)20)17(21-3)11-16(15)23-19(12)14-7-5-4-6-8-14/h4-8,10-12,19H,9H2,1-3H3
InChIKeyAGBMBJCHTJGVOI-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.93
Rot. Bonds3

About (7-methoxy-3-methyl-2-phenyl-3,4-dihydro-2H-chromen-6-yl) acetate

(7-methoxy-3-methyl-2-phenyl-3,4-dihydro-2H-chromen-6-yl) acetate (PubChem CID 154203925) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is (7-methoxy-3-methyl-2-phenyl-3,4-dihydro-2H-chromen-6-yl) acetate.

Molecular Properties

Compound Name(7-methoxy-3-methyl-2-phenyl-3,4-dihydro-2H-chromen-6-yl) acetate
PubChem CID154203925
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Name(7-methoxy-3-methyl-2-phenyl-3,4-dihydro-2H-chromen-6-yl) acetate
SMILESCOc1cc2c(cc1OC(C)=O)CC(C)C(c1ccccc1)O2
InChIInChI=1S/C19H20O4/c1-12-9-15-10-18(22-13(2)20)17(21-3)11-16(15)23-19(12)14-7-5-4-6-8-14/h4-8,10-12,19H,9H2,1-3H3
InChIKeyAGBMBJCHTJGVOI-UHFFFAOYSA-N
XLogP3.93
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (7-methoxy-3-methyl-2-phenyl-3,4-dihydro-2H-chromen-6-yl) acetate 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

(3-ethoxy-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-6-yl) acetate
CID 163553333
[3-ethyl-7-methoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-6-yl] acetate
CID 163437966
[(2S,3S)-2-(3,4-dimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-3-yl] acetate
CID 23241616
2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetic acid
CID 83890473
[(2R,3S)-7-acetyloxy-2-(4-acetyloxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate
CID 162892908
5,6-dimethoxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran
CID 86231271
1-(6-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 83882744
[(2R,3R)-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate
CID 10756490
[4-[(1R,3aR,4S,6aS)-4-(4-acetyloxy-3-methoxyphenyl)-3,6-dioxo-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenyl] acetate
CID 9498525
(12-acetyloxy-4,13-dimethoxy-17-methyl-17-azatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-5-yl) acetate
CID 91747922
[4-[4-(4-acetyloxy-3-methoxyphenyl)-3,6-dioxo-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenyl] acetate
CID 5064558
(12,19-dibenzoyloxy-6,13,20-trimethoxy-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl) benzoate
CID 100914359

Frequently Asked Questions

What is the IUPAC name of (7-methoxy-3-methyl-2-phenyl-3,4-dihydro-2H-chromen-6-yl) acetate?
The IUPAC name of (7-methoxy-3-methyl-2-phenyl-3,4-dihydro-2H-chromen-6-yl) acetate (CID 154203925) is (7-methoxy-3-methyl-2-phenyl-3,4-dihydro-2H-chromen-6-yl) acetate.
What is the SMILES notation for (7-methoxy-3-methyl-2-phenyl-3,4-dihydro-2H-chromen-6-yl) acetate?
The canonical SMILES for (7-methoxy-3-methyl-2-phenyl-3,4-dihydro-2H-chromen-6-yl) acetate is COc1cc2c(cc1OC(C)=O)CC(C)C(c1ccccc1)O2.
What is the InChIKey of (7-methoxy-3-methyl-2-phenyl-3,4-dihydro-2H-chromen-6-yl) acetate?
The InChIKey is AGBMBJCHTJGVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O4/c1-12-9-15-10-18(22-13(2)20)17(21-3)11-16(15)23-19(12)14-7-5-4-6-8-14/h4-8,10-12,19H,9H2,1-3H3.
What are the key properties of (7-methoxy-3-methyl-2-phenyl-3,4-dihydro-2H-chromen-6-yl) acetate?
(7-methoxy-3-methyl-2-phenyl-3,4-dihydro-2H-chromen-6-yl) acetate has a molecular weight of 312.37 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxy-3-methyl-2-phenyl-3,4-dihydro-2H-chromen-6-yl) acetate is sourced from PubChem (CID 154203925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).