(7-methyl-2-oxochromen-4-yl)methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate

C22H20O4 — CID 7714918

IUPAC(7-methyl-2-oxochromen-4-yl)methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate
SMILESCc1ccc2c(COC(=O)c3ccc4c(c3)CCCC4)cc(=O)oc2c1
InChIInChI=1S/C22H20O4/c1-14-6-9-19-18(12-21(23)26-20(19)10-14)13-25-22(24)17-8-7-15-4-2-3-5-16(15)11-17/h6-12H,2-5,13H2,1H3
InChIKeySBSJMRHNUYCJGD-UHFFFAOYSA-N
MW348.40 g/mol
LogP4.34
Rot. Bonds3

About (7-methyl-2-oxochromen-4-yl)methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate

(7-methyl-2-oxochromen-4-yl)methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate (PubChem CID 7714918) has the molecular formula C22H20O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is (7-methyl-2-oxochromen-4-yl)methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate.

Molecular Properties

Compound Name(7-methyl-2-oxochromen-4-yl)methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate
PubChem CID7714918
Molecular FormulaC22H20O4
Molecular Weight348.40 g/mol
Exact Mass348.14
IUPAC Name(7-methyl-2-oxochromen-4-yl)methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate
SMILESCc1ccc2c(COC(=O)c3ccc4c(c3)CCCC4)cc(=O)oc2c1
InChIInChI=1S/C22H20O4/c1-14-6-9-19-18(12-21(23)26-20(19)10-14)13-25-22(24)17-8-7-15-4-2-3-5-16(15)11-17/h6-12H,2-5,13H2,1H3
InChIKeySBSJMRHNUYCJGD-UHFFFAOYSA-N
XLogP4.34
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (7-methyl-2-oxochromen-4-yl)methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate 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

(7-methyl-2-oxochromen-4-yl)methyl 4-iodobenzoate
CID 2628144
(7-methyl-2-oxochromen-4-yl)methyl 3-methyl-4-nitrobenzoate
CID 2630195
(7-methyl-2-oxochromen-4-yl)methyl 2,3,4,5,6-pentamethylbenzoate
CID 7235435
(7-methyl-2-oxochromen-4-yl)methyl 1-oxidopyridin-1-ium-4-carboxylate
CID 7833913
(7-methyl-2-oxochromen-4-yl)methyl 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate
CID 2628583
(7-methyl-2-oxochromen-4-yl)methyl 4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoate
CID 55998472
(7-methyl-2-oxochromen-4-yl)methyl 2,5-dimethylbenzoate
CID 2629840
(7-methyl-2-oxochromen-4-yl)methyl 3-acetamidobenzoate
CID 2582002
(7-methyl-2-oxochromen-4-yl)methyl 4-[(4-methylphenyl)sulfamoyl]benzoate
CID 3662243
(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 1-methyl-2-oxopyridine-4-carboxylate
CID 55994947
(7-methyl-2-oxochromen-4-yl)methyl 5-methylpyrazine-2-carboxylate
CID 2548027
(7-methyl-2-oxochromen-4-yl)methyl 2-amino-4-fluorobenzoate
CID 27997956

Frequently Asked Questions

What is the IUPAC name of (7-methyl-2-oxochromen-4-yl)methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate?
The IUPAC name of (7-methyl-2-oxochromen-4-yl)methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate (CID 7714918) is (7-methyl-2-oxochromen-4-yl)methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate.
What is the SMILES notation for (7-methyl-2-oxochromen-4-yl)methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate?
The canonical SMILES for (7-methyl-2-oxochromen-4-yl)methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate is Cc1ccc2c(COC(=O)c3ccc4c(c3)CCCC4)cc(=O)oc2c1.
What is the InChIKey of (7-methyl-2-oxochromen-4-yl)methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate?
The InChIKey is SBSJMRHNUYCJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O4/c1-14-6-9-19-18(12-21(23)26-20(19)10-14)13-25-22(24)17-8-7-15-4-2-3-5-16(15)11-17/h6-12H,2-5,13H2,1H3.
What are the key properties of (7-methyl-2-oxochromen-4-yl)methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate?
(7-methyl-2-oxochromen-4-yl)methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate has a molecular weight of 348.40 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-2-oxochromen-4-yl)methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate is sourced from PubChem (CID 7714918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).