(4-methyl-2-oxo-3-phenylchromen-7-yl) 2-methoxybenzoate

C24H18O5 — CID 44963548

IUPAC(4-methyl-2-oxo-3-phenylchromen-7-yl) 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)Oc1ccc2c(C)c(-c3ccccc3)c(=O)oc2c1
InChIInChI=1S/C24H18O5/c1-15-18-13-12-17(28-23(25)19-10-6-7-11-20(19)27-2)14-21(18)29-24(26)22(15)16-8-4-3-5-9-16/h3-14H,1-2H3
InChIKeyBWVVQEUJIJDWDM-UHFFFAOYSA-N
MW386.40 g/mol
LogP5.00
Rot. Bonds4

About (4-methyl-2-oxo-3-phenylchromen-7-yl) 2-methoxybenzoate

(4-methyl-2-oxo-3-phenylchromen-7-yl) 2-methoxybenzoate (PubChem CID 44963548) has the molecular formula C24H18O5 and a molecular weight of 386.40 g/mol. Its IUPAC name is (4-methyl-2-oxo-3-phenylchromen-7-yl) 2-methoxybenzoate.

Molecular Properties

Compound Name(4-methyl-2-oxo-3-phenylchromen-7-yl) 2-methoxybenzoate
PubChem CID44963548
Molecular FormulaC24H18O5
Molecular Weight386.40 g/mol
Exact Mass386.12
IUPAC Name(4-methyl-2-oxo-3-phenylchromen-7-yl) 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)Oc1ccc2c(C)c(-c3ccccc3)c(=O)oc2c1
InChIInChI=1S/C24H18O5/c1-15-18-13-12-17(28-23(25)19-10-6-7-11-20(19)27-2)14-21(18)29-24(26)22(15)16-8-4-3-5-9-16/h3-14H,1-2H3
InChIKeyBWVVQEUJIJDWDM-UHFFFAOYSA-N
XLogP5.00
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (4-methyl-2-oxo-3-phenylchromen-7-yl) 2-methoxybenzoate 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-(3,4-dimethoxyphenyl)-4-methyl-2-oxochromen-7-yl] 3-methoxybenzoate
CID 44963593
[3-(4-methoxyphenyl)-4-methyl-2-oxochromen-7-yl] 4-chlorobenzoate
CID 44963557
(4-methyl-2-oxo-3-phenylchromen-6-yl) acetate
CID 7198791
(2-methyl-1,3-benzoxazol-6-yl) 2-methoxybenzoate
CID 110494411
[4-oxo-2-(3,4,5-trimethoxyphenyl)chromen-6-yl] 2-methoxybenzoate
CID 2240944
7-[(3-methoxyphenyl)methoxy]-4-methyl-3-phenylchromen-2-one
CID 44963511
(4-methyl-2-oxo-3-phenylchromen-6-yl) 2,2-dimethylpropanoate
CID 7198812
[3-(2-methoxyphenyl)-2-methyl-4-oxochromen-7-yl] 4-methylbenzoate
CID 2936402
[3-(4-methoxyphenyl)-4-methyl-2-oxochromen-7-yl] cyclohexanecarboxylate
CID 44669858
4,6-dimethyl-3,7-diphenylpyrano[3,2-g]chromene-2,8-dione
CID 3437445
prop-2-enyl 2-(4-methyl-2-oxo-3-phenylchromen-7-yl)oxyacetate
CID 7198306
(3,4-dimethyl-2-oxochromen-7-yl) 3-methoxybenzoate
CID 906943

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-oxo-3-phenylchromen-7-yl) 2-methoxybenzoate?
The IUPAC name of (4-methyl-2-oxo-3-phenylchromen-7-yl) 2-methoxybenzoate (CID 44963548) is (4-methyl-2-oxo-3-phenylchromen-7-yl) 2-methoxybenzoate.
What is the SMILES notation for (4-methyl-2-oxo-3-phenylchromen-7-yl) 2-methoxybenzoate?
The canonical SMILES for (4-methyl-2-oxo-3-phenylchromen-7-yl) 2-methoxybenzoate is COc1ccccc1C(=O)Oc1ccc2c(C)c(-c3ccccc3)c(=O)oc2c1.
What is the InChIKey of (4-methyl-2-oxo-3-phenylchromen-7-yl) 2-methoxybenzoate?
The InChIKey is BWVVQEUJIJDWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O5/c1-15-18-13-12-17(28-23(25)19-10-6-7-11-20(19)27-2)14-21(18)29-24(26)22(15)16-8-4-3-5-9-16/h3-14H,1-2H3.
What are the key properties of (4-methyl-2-oxo-3-phenylchromen-7-yl) 2-methoxybenzoate?
(4-methyl-2-oxo-3-phenylchromen-7-yl) 2-methoxybenzoate has a molecular weight of 386.40 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-oxo-3-phenylchromen-7-yl) 2-methoxybenzoate is sourced from PubChem (CID 44963548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).