3-ethoxy-2-methoxy-8-propan-2-ylbenzo[c]chromen-6-one

C19H20O4 — CID 130455889

IUPAC3-ethoxy-2-methoxy-8-propan-2-ylbenzo[c]chromen-6-one
SMILESCCOc1cc2oc(=O)c3cc(C(C)C)ccc3c2cc1OC
InChIInChI=1S/C19H20O4/c1-5-22-18-10-16-14(9-17(18)21-4)13-7-6-12(11(2)3)8-15(13)19(20)23-16/h6-11H,5H2,1-4H3
InChIKeyHIILLQPCXGLRAR-UHFFFAOYSA-N
MW312.37 g/mol
LogP4.48
Rot. Bonds4

About 3-ethoxy-2-methoxy-8-propan-2-ylbenzo[c]chromen-6-one

3-ethoxy-2-methoxy-8-propan-2-ylbenzo[c]chromen-6-one (PubChem CID 130455889) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-ethoxy-2-methoxy-8-propan-2-ylbenzo[c]chromen-6-one.

Molecular Properties

Compound Name3-ethoxy-2-methoxy-8-propan-2-ylbenzo[c]chromen-6-one
PubChem CID130455889
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Name3-ethoxy-2-methoxy-8-propan-2-ylbenzo[c]chromen-6-one
SMILESCCOc1cc2oc(=O)c3cc(C(C)C)ccc3c2cc1OC
InChIInChI=1S/C19H20O4/c1-5-22-18-10-16-14(9-17(18)21-4)13-7-6-12(11(2)3)8-15(13)19(20)23-16/h6-11H,5H2,1-4H3
InChIKeyHIILLQPCXGLRAR-UHFFFAOYSA-N
XLogP4.48
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-2-methoxy-8-propan-2-ylbenzo[c]chromen-6-one
CID 11999160
8-(1-hydroxyethyl)-2-methoxy-3-[(4-methylphenyl)methoxy]benzo[c]chromen-6-one
CID 11999627
2-[2,4-di(propan-2-yl)phenyl]-6-ethoxy-7-methoxy-3,1-benzoxazin-4-one
CID 25400595
2-ethoxy-1-methoxy-4-propan-2-ylbenzene
CID 22087689
3-[(4-benzoylphenyl)methoxy]-8-(4-hydroxybutan-2-yl)-2-methoxybenzo[c]chromen-6-one
CID 154040845
8-(2-hydroxyethyl)-2-methoxy-3-[(4-methoxyphenyl)methoxy]benzo[c]chromen-6-one
CID 66645164
3-[(3,5-dimethoxyphenyl)methoxy]-8-(2-hydroxybutan-2-yl)-2-methoxybenzo[c]chromen-6-one
CID 53374452
8-acetyl-3-[(4-fluorophenyl)methoxy]-2-methoxybenzo[c]chromen-6-one
CID 11999750
8-acetyl-3-(3,4-dihydropyridin-3-ylmethoxy)-2-methoxybenzo[c]chromen-6-one
CID 89367452
2-chloro-8,9-dimethoxybenzo[c]chromen-6-one
CID 164686324
2-ethyl-4-methoxy-7-propan-2-ylisoquinolin-1-one
CID 178177819
1-methoxy-4-methyl-6-propan-2-ylnaphthalene
CID 101078716

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-methoxy-8-propan-2-ylbenzo[c]chromen-6-one?
The IUPAC name of 3-ethoxy-2-methoxy-8-propan-2-ylbenzo[c]chromen-6-one (CID 130455889) is 3-ethoxy-2-methoxy-8-propan-2-ylbenzo[c]chromen-6-one.
What is the SMILES notation for 3-ethoxy-2-methoxy-8-propan-2-ylbenzo[c]chromen-6-one?
The canonical SMILES for 3-ethoxy-2-methoxy-8-propan-2-ylbenzo[c]chromen-6-one is CCOc1cc2oc(=O)c3cc(C(C)C)ccc3c2cc1OC.
What is the InChIKey of 3-ethoxy-2-methoxy-8-propan-2-ylbenzo[c]chromen-6-one?
The InChIKey is HIILLQPCXGLRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O4/c1-5-22-18-10-16-14(9-17(18)21-4)13-7-6-12(11(2)3)8-15(13)19(20)23-16/h6-11H,5H2,1-4H3.
What are the key properties of 3-ethoxy-2-methoxy-8-propan-2-ylbenzo[c]chromen-6-one?
3-ethoxy-2-methoxy-8-propan-2-ylbenzo[c]chromen-6-one has a molecular weight of 312.37 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-methoxy-8-propan-2-ylbenzo[c]chromen-6-one is sourced from PubChem (CID 130455889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).