3-benzoyl-9-methylfuro[2,3-h]chromen-2-one

C19H12O4 — CID 141465130

IUPAC3-benzoyl-9-methylfuro[2,3-h]chromen-2-one
SMILESCc1coc2ccc3cc(C(=O)c4ccccc4)c(=O)oc3c12
InChIInChI=1S/C19H12O4/c1-11-10-22-15-8-7-13-9-14(19(21)23-18(13)16(11)15)17(20)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyCCPGUJHNJOHQNF-UHFFFAOYSA-N
MW304.30 g/mol
LogP4.08
Rot. Bonds2

About 3-benzoyl-9-methylfuro[2,3-h]chromen-2-one

3-benzoyl-9-methylfuro[2,3-h]chromen-2-one (PubChem CID 141465130) has the molecular formula C19H12O4 and a molecular weight of 304.30 g/mol. Its IUPAC name is 3-benzoyl-9-methylfuro[2,3-h]chromen-2-one.

Molecular Properties

Compound Name3-benzoyl-9-methylfuro[2,3-h]chromen-2-one
PubChem CID141465130
Molecular FormulaC19H12O4
Molecular Weight304.30 g/mol
Exact Mass304.07
IUPAC Name3-benzoyl-9-methylfuro[2,3-h]chromen-2-one
SMILESCc1coc2ccc3cc(C(=O)c4ccccc4)c(=O)oc3c12
InChIInChI=1S/C19H12O4/c1-11-10-22-15-8-7-13-9-14(19(21)23-18(13)16(11)15)17(20)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyCCPGUJHNJOHQNF-UHFFFAOYSA-N
XLogP4.08
TPSA60.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9-methyl-3-propanoylfuro[2,3-h]chromen-2-one
CID 141465126
3-benzoyl-7-[di(propan-2-yl)amino]chromen-2-one
CID 166512537
3-benzoyl-6-methylpyran-2-one
CID 86099445
N-(2-benzoyl-4-chlorophenyl)-8-methyl-2-oxochromene-3-carboxamide
CID 100794292
3-(4-tert-butylbenzoyl)chromen-2-one
CID 132581750
(5-benzoyl-2,6-dimethyl-3-pyridinyl)-phenylmethanone
CID 827958
7,8-dimethoxy-3-(4-methoxybenzoyl)chromen-2-one
CID 154947659
3-benzoyl-7-(11-methyl-10-oxododec-11-enoxy)chromen-2-one
CID 89317094
[4-(diethylaminomethyl)-5-hydroxy-1-benzofuran-3-yl]-phenylmethanone
CID 759871
4-[7-(diethylamino)-2-oxochromene-3-carbonyl]benzoic acid
CID 23510542
(3,4-dimethylfuran-2-yl)-phenylmethanone
CID 67906016
(4-hydroxy-2,5-dimethylphenyl)-phenylmethanone
CID 19026877

Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-9-methylfuro[2,3-h]chromen-2-one?
The IUPAC name of 3-benzoyl-9-methylfuro[2,3-h]chromen-2-one (CID 141465130) is 3-benzoyl-9-methylfuro[2,3-h]chromen-2-one.
What is the SMILES notation for 3-benzoyl-9-methylfuro[2,3-h]chromen-2-one?
The canonical SMILES for 3-benzoyl-9-methylfuro[2,3-h]chromen-2-one is Cc1coc2ccc3cc(C(=O)c4ccccc4)c(=O)oc3c12.
What is the InChIKey of 3-benzoyl-9-methylfuro[2,3-h]chromen-2-one?
The InChIKey is CCPGUJHNJOHQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12O4/c1-11-10-22-15-8-7-13-9-14(19(21)23-18(13)16(11)15)17(20)12-5-3-2-4-6-12/h2-10H,1H3.
What are the key properties of 3-benzoyl-9-methylfuro[2,3-h]chromen-2-one?
3-benzoyl-9-methylfuro[2,3-h]chromen-2-one has a molecular weight of 304.30 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-9-methylfuro[2,3-h]chromen-2-one is sourced from PubChem (CID 141465130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).