(3-ethylazulen-1-yl)-(6-methoxy-1-benzofuran-2-yl)methanone

C22H18O3 — CID 11012943

IUPAC(3-ethylazulen-1-yl)-(6-methoxy-1-benzofuran-2-yl)methanone
SMILESCCc1cc(C(=O)c2cc3ccc(OC)cc3o2)c2cccccc1-2
InChIInChI=1S/C22H18O3/c1-3-14-11-19(18-8-6-4-5-7-17(14)18)22(23)21-12-15-9-10-16(24-2)13-20(15)25-21/h4-13H,3H2,1-2H3
InChIKeyHPXOZAFAIHSNIF-UHFFFAOYSA-N
MW330.38 g/mol
LogP5.34
Rot. Bonds4

About (3-ethylazulen-1-yl)-(6-methoxy-1-benzofuran-2-yl)methanone

(3-ethylazulen-1-yl)-(6-methoxy-1-benzofuran-2-yl)methanone (PubChem CID 11012943) has the molecular formula C22H18O3 and a molecular weight of 330.38 g/mol. Its IUPAC name is (3-ethylazulen-1-yl)-(6-methoxy-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(3-ethylazulen-1-yl)-(6-methoxy-1-benzofuran-2-yl)methanone
PubChem CID11012943
Molecular FormulaC22H18O3
Molecular Weight330.38 g/mol
Exact Mass330.13
IUPAC Name(3-ethylazulen-1-yl)-(6-methoxy-1-benzofuran-2-yl)methanone
SMILESCCc1cc(C(=O)c2cc3ccc(OC)cc3o2)c2cccccc1-2
InChIInChI=1S/C22H18O3/c1-3-14-11-19(18-8-6-4-5-7-17(14)18)22(23)21-12-15-9-10-16(24-2)13-20(15)25-21/h4-13H,3H2,1-2H3
InChIKeyHPXOZAFAIHSNIF-UHFFFAOYSA-N
XLogP5.34
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.38
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(6-methoxy-1-benzofuran-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 46226723
1-benzofuran-2-yl-(3-methylazulen-1-yl)methanone
CID 11055263
(3-bromo-4-fluorophenyl)-(6-methoxy-1-benzofuran-2-yl)methanone
CID 62915012
[6-(diethylamino)-1-benzofuran-2-yl]-(3-methoxyphenyl)methanone
CID 11551551
7-methoxy-2-oxo-N'-(2-phenylacetyl)chromene-3-carbohydrazide
CID 5262581
(6-methoxy-1-benzofuran-2-carbonyl)oxymethylphosphonic acid
CID 150972159
methyl 3-(5-methyl-1-benzofuran-2-carbonyl)azulene-1-carboxylate
CID 10882473
dimethoxyphosphorylmethyl 6-methoxy-1-benzofuran-2-carboxylate
CID 71578016
2-chloro-5-(6-methoxy-1-benzofuran-2-carbonyl)benzenesulfonamide
CID 21316621
(2-amino-5-methoxyphenyl)-(7-chloro-1-benzofuran-2-yl)methanone
CID 114737213
(4-methoxyphenyl) 1-benzofuran-2-carboxylate
CID 659898
3-(2-ethyl-4-hexylphenyl)-7-methoxychromen-2-one
CID 166685960

Frequently Asked Questions

What is the IUPAC name of (3-ethylazulen-1-yl)-(6-methoxy-1-benzofuran-2-yl)methanone?
The IUPAC name of (3-ethylazulen-1-yl)-(6-methoxy-1-benzofuran-2-yl)methanone (CID 11012943) is (3-ethylazulen-1-yl)-(6-methoxy-1-benzofuran-2-yl)methanone.
What is the SMILES notation for (3-ethylazulen-1-yl)-(6-methoxy-1-benzofuran-2-yl)methanone?
The canonical SMILES for (3-ethylazulen-1-yl)-(6-methoxy-1-benzofuran-2-yl)methanone is CCc1cc(C(=O)c2cc3ccc(OC)cc3o2)c2cccccc1-2.
What is the InChIKey of (3-ethylazulen-1-yl)-(6-methoxy-1-benzofuran-2-yl)methanone?
The InChIKey is HPXOZAFAIHSNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O3/c1-3-14-11-19(18-8-6-4-5-7-17(14)18)22(23)21-12-15-9-10-16(24-2)13-20(15)25-21/h4-13H,3H2,1-2H3.
What are the key properties of (3-ethylazulen-1-yl)-(6-methoxy-1-benzofuran-2-yl)methanone?
(3-ethylazulen-1-yl)-(6-methoxy-1-benzofuran-2-yl)methanone has a molecular weight of 330.38 g/mol, XLogP of 5.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylazulen-1-yl)-(6-methoxy-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 11012943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).