(4-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl) furan-2-carboxylate

C19H16O5 — CID 705656

IUPAC(4-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl) furan-2-carboxylate
SMILESCc1c(OC(=O)c2ccco2)ccc2c3c(c(=O)oc12)CCCC3
InChIInChI=1S/C19H16O5/c1-11-15(23-19(21)16-7-4-10-22-16)9-8-13-12-5-2-3-6-14(12)18(20)24-17(11)13/h4,7-10H,2-3,5-6H2,1H3
InChIKeyMPQXAFBOKVFAPS-UHFFFAOYSA-N
MW324.33 g/mol
LogP3.79
Rot. Bonds2

About (4-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl) furan-2-carboxylate

(4-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl) furan-2-carboxylate (PubChem CID 705656) has the molecular formula C19H16O5 and a molecular weight of 324.33 g/mol. Its IUPAC name is (4-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl) furan-2-carboxylate.

Molecular Properties

Compound Name(4-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl) furan-2-carboxylate
PubChem CID705656
Molecular FormulaC19H16O5
Molecular Weight324.33 g/mol
Exact Mass324.10
IUPAC Name(4-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl) furan-2-carboxylate
SMILESCc1c(OC(=O)c2ccco2)ccc2c3c(c(=O)oc12)CCCC3
InChIInChI=1S/C19H16O5/c1-11-15(23-19(21)16-7-4-10-22-16)9-8-13-12-5-2-3-6-14(12)18(20)24-17(11)13/h4,7-10H,2-3,5-6H2,1H3
InChIKeyMPQXAFBOKVFAPS-UHFFFAOYSA-N
XLogP3.79
TPSA69.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-ethyl-8-methyl-2-oxochromen-7-yl) furan-2-carboxylate
CID 905836
4-methyl-3-propan-2-yloxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
CID 2274082
(2S)-2-[(4-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]propanoate
CID 2055071
(8-methyl-2-oxo-4-propylchromen-7-yl) furan-2-carboxylate
CID 906606
3-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxymethyl]benzoic acid
CID 20987024
(2R)-2-[(4-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]-2-phenylacetate
CID 2277215
3-[(4-chlorophenyl)methoxy]-4-methyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
CID 5224612
(4-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl) (2R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 6568156
(4-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl) 2-[(4-methylphenyl)sulfonylamino]propanoate
CID 3777861
N-(2-hydroxy-2-phenylethyl)-2-[(4-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]acetamide
CID 4904438
2-[2-[(4-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]propanoylamino]propanoic acid
CID 3849548
5-methyl-4-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxymethyl]furan-2-carboxylic acid
CID 1320902

Frequently Asked Questions

What is the IUPAC name of (4-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl) furan-2-carboxylate?
The IUPAC name of (4-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl) furan-2-carboxylate (CID 705656) is (4-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl) furan-2-carboxylate.
What is the SMILES notation for (4-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl) furan-2-carboxylate?
The canonical SMILES for (4-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl) furan-2-carboxylate is Cc1c(OC(=O)c2ccco2)ccc2c3c(c(=O)oc12)CCCC3.
What is the InChIKey of (4-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl) furan-2-carboxylate?
The InChIKey is MPQXAFBOKVFAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O5/c1-11-15(23-19(21)16-7-4-10-22-16)9-8-13-12-5-2-3-6-14(12)18(20)24-17(11)13/h4,7-10H,2-3,5-6H2,1H3.
What are the key properties of (4-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl) furan-2-carboxylate?
(4-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl) furan-2-carboxylate has a molecular weight of 324.33 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl) furan-2-carboxylate is sourced from PubChem (CID 705656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).