(7-methoxy-2-oxochromen-4-yl)methyl 2-phenoxybenzoate

C24H18O6 — CID 5205854

IUPAC(7-methoxy-2-oxochromen-4-yl)methyl 2-phenoxybenzoate
SMILESCOc1ccc2c(COC(=O)c3ccccc3Oc3ccccc3)cc(=O)oc2c1
InChIInChI=1S/C24H18O6/c1-27-18-11-12-19-16(13-23(25)30-22(19)14-18)15-28-24(26)20-9-5-6-10-21(20)29-17-7-3-2-4-8-17/h2-14H,15H2,1H3
InChIKeyMCRCMIBNMPWLRU-UHFFFAOYSA-N
MW402.40 g/mol
LogP4.95
Rot. Bonds6

About (7-methoxy-2-oxochromen-4-yl)methyl 2-phenoxybenzoate

(7-methoxy-2-oxochromen-4-yl)methyl 2-phenoxybenzoate (PubChem CID 5205854) has the molecular formula C24H18O6 and a molecular weight of 402.40 g/mol. Its IUPAC name is (7-methoxy-2-oxochromen-4-yl)methyl 2-phenoxybenzoate.

Molecular Properties

Compound Name(7-methoxy-2-oxochromen-4-yl)methyl 2-phenoxybenzoate
PubChem CID5205854
Molecular FormulaC24H18O6
Molecular Weight402.40 g/mol
Exact Mass402.11
IUPAC Name(7-methoxy-2-oxochromen-4-yl)methyl 2-phenoxybenzoate
SMILESCOc1ccc2c(COC(=O)c3ccccc3Oc3ccccc3)cc(=O)oc2c1
InChIInChI=1S/C24H18O6/c1-27-18-11-12-19-16(13-23(25)30-22(19)14-18)15-28-24(26)20-9-5-6-10-21(20)29-17-7-3-2-4-8-17/h2-14H,15H2,1H3
InChIKeyMCRCMIBNMPWLRU-UHFFFAOYSA-N
XLogP4.95
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.40
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(7-methoxy-2-oxochromen-4-yl)methyl 2-iodobenzoate
CID 3876899
(7-methoxy-2-oxochromen-4-yl)methyl 2-methylsulfanylpyridine-3-carboxylate
CID 5197110
(7-methyl-2-oxochromen-4-yl)methyl 2-(2-phenoxyethoxy)benzoate
CID 4236785
(7-methoxy-2-oxochromen-4-yl)methyl 2,4-dimethylbenzoate
CID 7796060
(7-methoxy-2-oxochromen-4-yl)methyl 2-methylpropanoate
CID 7782409
(7-methoxy-2-oxochromen-4-yl)methyl 2-naphthalen-1-ylquinoline-4-carboxylate
CID 3966497
(7-methoxy-2-oxochromen-4-yl)methyl (2S)-2-phenoxybutanoate
CID 7229879
(7-methoxy-2-oxochromen-4-yl)methyl 3,4,5-trimethoxybenzoate
CID 3971708
(7-methoxy-2-oxochromen-4-yl)methyl 2-ethoxypyridine-3-carboxylate
CID 4027480
(7-methoxy-2-oxochromen-4-yl)methyl 2-phenylsulfanylacetate
CID 4544422
(7-methoxy-2-oxochromen-4-yl)methyl (3S)-3-phenylbutanoate
CID 7227766
(7-methoxy-2-oxochromen-4-yl)methyl 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzoate
CID 3911944

Frequently Asked Questions

What is the IUPAC name of (7-methoxy-2-oxochromen-4-yl)methyl 2-phenoxybenzoate?
The IUPAC name of (7-methoxy-2-oxochromen-4-yl)methyl 2-phenoxybenzoate (CID 5205854) is (7-methoxy-2-oxochromen-4-yl)methyl 2-phenoxybenzoate.
What is the SMILES notation for (7-methoxy-2-oxochromen-4-yl)methyl 2-phenoxybenzoate?
The canonical SMILES for (7-methoxy-2-oxochromen-4-yl)methyl 2-phenoxybenzoate is COc1ccc2c(COC(=O)c3ccccc3Oc3ccccc3)cc(=O)oc2c1.
What is the InChIKey of (7-methoxy-2-oxochromen-4-yl)methyl 2-phenoxybenzoate?
The InChIKey is MCRCMIBNMPWLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O6/c1-27-18-11-12-19-16(13-23(25)30-22(19)14-18)15-28-24(26)20-9-5-6-10-21(20)29-17-7-3-2-4-8-17/h2-14H,15H2,1H3.
What are the key properties of (7-methoxy-2-oxochromen-4-yl)methyl 2-phenoxybenzoate?
(7-methoxy-2-oxochromen-4-yl)methyl 2-phenoxybenzoate has a molecular weight of 402.40 g/mol, XLogP of 4.95, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxy-2-oxochromen-4-yl)methyl 2-phenoxybenzoate is sourced from PubChem (CID 5205854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).