methyl 4-(6,6,9,9-tetramethyl-4-oxo-7,8-dihydrobenzo[g]chromen-2-yl)benzoate

C25H26O4 — CID 14052609

IUPACmethyl 4-(6,6,9,9-tetramethyl-4-oxo-7,8-dihydrobenzo[g]chromen-2-yl)benzoate
SMILESCOC(=O)c1ccc(-c2cc(=O)c3cc4c(cc3o2)C(C)(C)CCC4(C)C)cc1
InChIInChI=1S/C25H26O4/c1-24(2)10-11-25(3,4)19-13-22-17(12-18(19)24)20(26)14-21(29-22)15-6-8-16(9-7-15)23(27)28-5/h6-9,12-14H,10-11H2,1-5H3
InChIKeyAFBSLJLSMOKUMO-UHFFFAOYSA-N
MW390.48 g/mol
LogP5.60
Rot. Bonds2

About methyl 4-(6,6,9,9-tetramethyl-4-oxo-7,8-dihydrobenzo[g]chromen-2-yl)benzoate

methyl 4-(6,6,9,9-tetramethyl-4-oxo-7,8-dihydrobenzo[g]chromen-2-yl)benzoate (PubChem CID 14052609) has the molecular formula C25H26O4 and a molecular weight of 390.48 g/mol. Its IUPAC name is methyl 4-(6,6,9,9-tetramethyl-4-oxo-7,8-dihydrobenzo[g]chromen-2-yl)benzoate.

Molecular Properties

Compound Namemethyl 4-(6,6,9,9-tetramethyl-4-oxo-7,8-dihydrobenzo[g]chromen-2-yl)benzoate
PubChem CID14052609
Molecular FormulaC25H26O4
Molecular Weight390.48 g/mol
Exact Mass390.18
IUPAC Namemethyl 4-(6,6,9,9-tetramethyl-4-oxo-7,8-dihydrobenzo[g]chromen-2-yl)benzoate
SMILESCOC(=O)c1ccc(-c2cc(=O)c3cc4c(cc3o2)C(C)(C)CCC4(C)C)cc1
InChIInChI=1S/C25H26O4/c1-24(2)10-11-25(3,4)19-13-22-17(12-18(19)24)20(26)14-21(29-22)15-6-8-16(9-7-15)23(27)28-5/h6-9,12-14H,10-11H2,1-5H3
InChIKeyAFBSLJLSMOKUMO-UHFFFAOYSA-N
XLogP5.60
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.48
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 4-(6,6,9,9-tetramethyl-4-oxo-7,8-dihydrobenzo[g]chromen-2-yl)benzoate with MolForge

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Related Compounds

methyl 4-[2-oxo-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetyl]benzoate
CID 14726493
methyl 4-(5-hydroxy-4-oxochromen-2-yl)benzoate
CID 73350464
methyl 4-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)furan-3-yl]benzoate
CID 14726501
methyl 4-[1-methyl-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrrol-2-yl]benzoate
CID 14726514
methyl 4-(4-methoxy-6,6,9,9-tetramethyl-7,8-dihydrobenzo[g]quinolin-2-yl)benzoate
CID 10046765
methyl 4-(5-methylfuran-2-yl)benzoate
CID 5219873
methyl 4-(3-ethoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzoate
CID 142634748
methyl 4-(5,5-dimethyl-8-oxo-6,7-dihydroanthracen-2-yl)benzoate
CID 21217157
methyl 4-(7,7,10,10-tetramethyl-4-oxo-3,5,8,9-tetrahydrobenzo[h][1,5]benzodiazepin-2-yl)benzoate
CID 10341185
4-methoxy-N-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]benzamide
CID 18568776
4-(1,6,6,9,9-pentamethyl-4-oxo-7,8-dihydrobenzo[g]quinolin-2-yl)benzoic acid
CID 10475462
methyl 2-(4-chlorophenyl)-1-benzofuran-5-carboxylate
CID 67551871

Frequently Asked Questions

What is the IUPAC name of methyl 4-(6,6,9,9-tetramethyl-4-oxo-7,8-dihydrobenzo[g]chromen-2-yl)benzoate?
The IUPAC name of methyl 4-(6,6,9,9-tetramethyl-4-oxo-7,8-dihydrobenzo[g]chromen-2-yl)benzoate (CID 14052609) is methyl 4-(6,6,9,9-tetramethyl-4-oxo-7,8-dihydrobenzo[g]chromen-2-yl)benzoate.
What is the SMILES notation for methyl 4-(6,6,9,9-tetramethyl-4-oxo-7,8-dihydrobenzo[g]chromen-2-yl)benzoate?
The canonical SMILES for methyl 4-(6,6,9,9-tetramethyl-4-oxo-7,8-dihydrobenzo[g]chromen-2-yl)benzoate is COC(=O)c1ccc(-c2cc(=O)c3cc4c(cc3o2)C(C)(C)CCC4(C)C)cc1.
What is the InChIKey of methyl 4-(6,6,9,9-tetramethyl-4-oxo-7,8-dihydrobenzo[g]chromen-2-yl)benzoate?
The InChIKey is AFBSLJLSMOKUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26O4/c1-24(2)10-11-25(3,4)19-13-22-17(12-18(19)24)20(26)14-21(29-22)15-6-8-16(9-7-15)23(27)28-5/h6-9,12-14H,10-11H2,1-5H3.
What are the key properties of methyl 4-(6,6,9,9-tetramethyl-4-oxo-7,8-dihydrobenzo[g]chromen-2-yl)benzoate?
methyl 4-(6,6,9,9-tetramethyl-4-oxo-7,8-dihydrobenzo[g]chromen-2-yl)benzoate has a molecular weight of 390.48 g/mol, XLogP of 5.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(6,6,9,9-tetramethyl-4-oxo-7,8-dihydrobenzo[g]chromen-2-yl)benzoate is sourced from PubChem (CID 14052609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).