methyl 3-methoxy-5-(6-methyl-4-oxochromen-2-yl)benzoate

C19H16O5 — CID 11056415

IUPACmethyl 3-methoxy-5-(6-methyl-4-oxochromen-2-yl)benzoate
SMILESCOC(=O)c1cc(OC)cc(-c2cc(=O)c3cc(C)ccc3o2)c1
InChIInChI=1S/C19H16O5/c1-11-4-5-17-15(6-11)16(20)10-18(24-17)12-7-13(19(21)23-3)9-14(8-12)22-2/h4-10H,1-3H3
InChIKeyKHVPKZDEHDMJJR-UHFFFAOYSA-N
MW324.33 g/mol
LogP3.56
Rot. Bonds3

About methyl 3-methoxy-5-(6-methyl-4-oxochromen-2-yl)benzoate

methyl 3-methoxy-5-(6-methyl-4-oxochromen-2-yl)benzoate (PubChem CID 11056415) has the molecular formula C19H16O5 and a molecular weight of 324.33 g/mol. Its IUPAC name is methyl 3-methoxy-5-(6-methyl-4-oxochromen-2-yl)benzoate.

Molecular Properties

Compound Namemethyl 3-methoxy-5-(6-methyl-4-oxochromen-2-yl)benzoate
PubChem CID11056415
Molecular FormulaC19H16O5
Molecular Weight324.33 g/mol
Exact Mass324.10
IUPAC Namemethyl 3-methoxy-5-(6-methyl-4-oxochromen-2-yl)benzoate
SMILESCOC(=O)c1cc(OC)cc(-c2cc(=O)c3cc(C)ccc3o2)c1
InChIInChI=1S/C19H16O5/c1-11-4-5-17-15(6-11)16(20)10-18(24-17)12-7-13(19(21)23-3)9-14(8-12)22-2/h4-10H,1-3H3
InChIKeyKHVPKZDEHDMJJR-UHFFFAOYSA-N
XLogP3.56
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-5-(6-methyl-4-oxochromen-2-yl)benzoic acid
CID 11823041
2-(3,5-dimethylphenyl)-6-methoxychromen-4-one
CID 166633270
methyl 6-methyl-4-oxochromene-2-carboxylate
CID 7021690
4-(6-methyl-4-oxochromen-2-yl)-N-(4-methylphenyl)benzamide
CID 108790164
3,5-dimethoxy-N-(4-oxo-2-phenylchromen-6-yl)benzamide
CID 18568778
2-(4-aminophenyl)-6-methylchromen-4-one
CID 10999496
N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-2-(4-methylphenoxy)acetamide
CID 108730754
4-methoxy-N-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]benzamide
CID 18568776
N-(2,6-dimethylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790363
N-(2-hydroxyethyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108803168
N-(4-hydroxyphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790183
N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-3-(4-methylphenoxy)propanamide
CID 108811249

Frequently Asked Questions

What is the IUPAC name of methyl 3-methoxy-5-(6-methyl-4-oxochromen-2-yl)benzoate?
The IUPAC name of methyl 3-methoxy-5-(6-methyl-4-oxochromen-2-yl)benzoate (CID 11056415) is methyl 3-methoxy-5-(6-methyl-4-oxochromen-2-yl)benzoate.
What is the SMILES notation for methyl 3-methoxy-5-(6-methyl-4-oxochromen-2-yl)benzoate?
The canonical SMILES for methyl 3-methoxy-5-(6-methyl-4-oxochromen-2-yl)benzoate is COC(=O)c1cc(OC)cc(-c2cc(=O)c3cc(C)ccc3o2)c1.
What is the InChIKey of methyl 3-methoxy-5-(6-methyl-4-oxochromen-2-yl)benzoate?
The InChIKey is KHVPKZDEHDMJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O5/c1-11-4-5-17-15(6-11)16(20)10-18(24-17)12-7-13(19(21)23-3)9-14(8-12)22-2/h4-10H,1-3H3.
What are the key properties of methyl 3-methoxy-5-(6-methyl-4-oxochromen-2-yl)benzoate?
methyl 3-methoxy-5-(6-methyl-4-oxochromen-2-yl)benzoate has a molecular weight of 324.33 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methoxy-5-(6-methyl-4-oxochromen-2-yl)benzoate is sourced from PubChem (CID 11056415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).