8-methoxy-6-oxobenzo[c]chromene-3-carbaldehyde

C15H10O4 — CID 14104558

IUPAC8-methoxy-6-oxobenzo[c]chromene-3-carbaldehyde
SMILESCOc1ccc2c(c1)c(=O)oc1cc(C=O)ccc12
InChIInChI=1S/C15H10O4/c1-18-10-3-5-11-12-4-2-9(8-16)6-14(12)19-15(17)13(11)7-10/h2-8H,1H3
InChIKeyFFXDGZOVWQMPCO-UHFFFAOYSA-N
MW254.24 g/mol
LogP2.77
Rot. Bonds2

About 8-methoxy-6-oxobenzo[c]chromene-3-carbaldehyde

8-methoxy-6-oxobenzo[c]chromene-3-carbaldehyde (PubChem CID 14104558) has the molecular formula C15H10O4 and a molecular weight of 254.24 g/mol. Its IUPAC name is 8-methoxy-6-oxobenzo[c]chromene-3-carbaldehyde.

Molecular Properties

Compound Name8-methoxy-6-oxobenzo[c]chromene-3-carbaldehyde
PubChem CID14104558
Molecular FormulaC15H10O4
Molecular Weight254.24 g/mol
Exact Mass254.06
IUPAC Name8-methoxy-6-oxobenzo[c]chromene-3-carbaldehyde
SMILESCOc1ccc2c(c1)c(=O)oc1cc(C=O)ccc12
InChIInChI=1S/C15H10O4/c1-18-10-3-5-11-12-4-2-9(8-16)6-14(12)19-15(17)13(11)7-10/h2-8H,1H3
InChIKeyFFXDGZOVWQMPCO-UHFFFAOYSA-N
XLogP2.77
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-chloro-8-methoxybenzo[c]chromen-6-one
CID 164598037
8-methoxy-3-[(4-methoxyphenyl)methoxy]benzo[c]chromen-6-one
CID 1347567
2-chloro-8-methoxy-3-methylbenzo[c]chromen-6-one
CID 167583154
2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxypropanoic acid
CID 2906441
ethyl 2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetate
CID 4914742
2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)acetamide
CID 175862262
7-methoxy-4-oxahexacyclo[12.12.0.02,11.05,10.015,20.021,26]hexacosa-1(14),2(11),5(10),6,8,12,15,17,19,21,23,25-dodecaen-3-one
CID 118617499
3-(3,3-dimethyl-2-oxobutoxy)-8-methoxybenzo[c]chromen-6-one
CID 1332673
5,11-bis(dimethylamino)-16-oxo-8,15-dioxatetracyclo[15.4.0.02,7.09,14]henicosa-1(17),2(7),3,5,9(14),10,12,18,20-nonaene-19-carbaldehyde
CID 138706292
N,N-diethyl-2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetamide
CID 1072484
3-[4-(diethylamino)butoxy]-8-methoxybenzo[c]chromen-6-one
CID 169099666
7-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-4-methylchromen-2-one
CID 52945027

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-6-oxobenzo[c]chromene-3-carbaldehyde?
The IUPAC name of 8-methoxy-6-oxobenzo[c]chromene-3-carbaldehyde (CID 14104558) is 8-methoxy-6-oxobenzo[c]chromene-3-carbaldehyde.
What is the SMILES notation for 8-methoxy-6-oxobenzo[c]chromene-3-carbaldehyde?
The canonical SMILES for 8-methoxy-6-oxobenzo[c]chromene-3-carbaldehyde is COc1ccc2c(c1)c(=O)oc1cc(C=O)ccc12.
What is the InChIKey of 8-methoxy-6-oxobenzo[c]chromene-3-carbaldehyde?
The InChIKey is FFXDGZOVWQMPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O4/c1-18-10-3-5-11-12-4-2-9(8-16)6-14(12)19-15(17)13(11)7-10/h2-8H,1H3.
What are the key properties of 8-methoxy-6-oxobenzo[c]chromene-3-carbaldehyde?
8-methoxy-6-oxobenzo[c]chromene-3-carbaldehyde has a molecular weight of 254.24 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-6-oxobenzo[c]chromene-3-carbaldehyde is sourced from PubChem (CID 14104558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).