ethyl 3-methoxy-9-methyl-6-oxo-7-phenyl-7,8-dihydrobenzo[c]chromene-8-carboxylate

C24H22O5 — CID 134836843

IUPACethyl 3-methoxy-9-methyl-6-oxo-7-phenyl-7,8-dihydrobenzo[c]chromene-8-carboxylate
SMILESCCOC(=O)C1C(C)=Cc2c(c(=O)oc3cc(OC)ccc23)C1c1ccccc1
InChIInChI=1S/C24H22O5/c1-4-28-23(25)20-14(2)12-18-17-11-10-16(27-3)13-19(17)29-24(26)22(18)21(20)15-8-6-5-7-9-15/h5-13,20-21H,4H2,1-3H3
InChIKeySUXOBEYMTOBNTN-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.53
Rot. Bonds4

About ethyl 3-methoxy-9-methyl-6-oxo-7-phenyl-7,8-dihydrobenzo[c]chromene-8-carboxylate

ethyl 3-methoxy-9-methyl-6-oxo-7-phenyl-7,8-dihydrobenzo[c]chromene-8-carboxylate (PubChem CID 134836843) has the molecular formula C24H22O5 and a molecular weight of 390.44 g/mol. Its IUPAC name is ethyl 3-methoxy-9-methyl-6-oxo-7-phenyl-7,8-dihydrobenzo[c]chromene-8-carboxylate.

Molecular Properties

Compound Nameethyl 3-methoxy-9-methyl-6-oxo-7-phenyl-7,8-dihydrobenzo[c]chromene-8-carboxylate
PubChem CID134836843
Molecular FormulaC24H22O5
Molecular Weight390.44 g/mol
Exact Mass390.15
IUPAC Nameethyl 3-methoxy-9-methyl-6-oxo-7-phenyl-7,8-dihydrobenzo[c]chromene-8-carboxylate
SMILESCCOC(=O)C1C(C)=Cc2c(c(=O)oc3cc(OC)ccc23)C1c1ccccc1
InChIInChI=1S/C24H22O5/c1-4-28-23(25)20-14(2)12-18-17-11-10-16(27-3)13-19(17)29-24(26)22(18)21(20)15-8-6-5-7-9-15/h5-13,20-21H,4H2,1-3H3
InChIKeySUXOBEYMTOBNTN-UHFFFAOYSA-N
XLogP4.53
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetate
CID 4914742
ethyl (1S,2R)-2-(4-methoxyphenyl)-5-oxo-3,4-diphenylcyclopent-3-ene-1-carboxylate
CID 16724985
ethyl (3Z)-3-(1-hydroxyethylidene)-5-methoxy-1-phenyl-1,2-dihydroindene-2-carboxylate
CID 143123781
ethyl 3,9-dihydroxy-9-methyl-6-oxo-7-phenyl-8,10-dihydro-7H-benzo[c]chromene-8-carboxylate
CID 134836762
ethyl 3-(3,5-dimethoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate
CID 71753713
ethyl (2R,3S)-3-(3,5-dimethoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate
CID 96544275
7-ethoxy-3-(4-methoxyphenyl)-4-phenylchromen-2-one
CID 5038923
ethyl 3-imino-1-(4-methoxyphenyl)-1,2-dihydrobenzo[f]chromene-2-carboxylate
CID 175687562
ethyl (3S,4R)-5-oxo-4-phenyl-3,4-dihydro-2H-pyrano[3,2-c]chromene-3-carboxylate
CID 45257855
ethyl (2R,3R)-4-oxo-3-(2,4,6-trimethoxyphenyl)-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate
CID 96544767
7-methoxy-N,N-dimethyl-2-oxo-4-phenylchromene-3-carboxamide
CID 177461075
ethyl 4-oxo-3-(4-propan-2-yloxyphenyl)-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate
CID 71753896

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methoxy-9-methyl-6-oxo-7-phenyl-7,8-dihydrobenzo[c]chromene-8-carboxylate?
The IUPAC name of ethyl 3-methoxy-9-methyl-6-oxo-7-phenyl-7,8-dihydrobenzo[c]chromene-8-carboxylate (CID 134836843) is ethyl 3-methoxy-9-methyl-6-oxo-7-phenyl-7,8-dihydrobenzo[c]chromene-8-carboxylate.
What is the SMILES notation for ethyl 3-methoxy-9-methyl-6-oxo-7-phenyl-7,8-dihydrobenzo[c]chromene-8-carboxylate?
The canonical SMILES for ethyl 3-methoxy-9-methyl-6-oxo-7-phenyl-7,8-dihydrobenzo[c]chromene-8-carboxylate is CCOC(=O)C1C(C)=Cc2c(c(=O)oc3cc(OC)ccc23)C1c1ccccc1.
What is the InChIKey of ethyl 3-methoxy-9-methyl-6-oxo-7-phenyl-7,8-dihydrobenzo[c]chromene-8-carboxylate?
The InChIKey is SUXOBEYMTOBNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O5/c1-4-28-23(25)20-14(2)12-18-17-11-10-16(27-3)13-19(17)29-24(26)22(18)21(20)15-8-6-5-7-9-15/h5-13,20-21H,4H2,1-3H3.
What are the key properties of ethyl 3-methoxy-9-methyl-6-oxo-7-phenyl-7,8-dihydrobenzo[c]chromene-8-carboxylate?
ethyl 3-methoxy-9-methyl-6-oxo-7-phenyl-7,8-dihydrobenzo[c]chromene-8-carboxylate has a molecular weight of 390.44 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methoxy-9-methyl-6-oxo-7-phenyl-7,8-dihydrobenzo[c]chromene-8-carboxylate is sourced from PubChem (CID 134836843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).