[7-[(5-chloro-1-benzofuran-2-yl)methoxy]-4-methylchromen-2-ylidene]oxidanium

C19H14ClO4+ — CID 163451349

IUPAC[7-[(5-chloro-1-benzofuran-2-yl)methoxy]-4-methylchromen-2-ylidene]oxidanium
SMILES[H]/[O+]=c1\cc(C)c2ccc(OCc3cc4cc(Cl)ccc4o3)cc2o1
InChIInChI=1S/C19H13ClO4/c1-11-6-19(21)24-18-9-14(3-4-16(11)18)22-10-15-8-12-7-13(20)2-5-17(12)23-15/h2-9H,10H2,1H3/p+1
InChIKeyBGWJOEMXYCIPIL-UHFFFAOYSA-O
MW341.77 g/mol
LogP4.72
Rot. Bonds3

About [7-[(5-chloro-1-benzofuran-2-yl)methoxy]-4-methylchromen-2-ylidene]oxidanium

[7-[(5-chloro-1-benzofuran-2-yl)methoxy]-4-methylchromen-2-ylidene]oxidanium (PubChem CID 163451349) has the molecular formula C19H14ClO4+ and a molecular weight of 341.77 g/mol. Its IUPAC name is [7-[(5-chloro-1-benzofuran-2-yl)methoxy]-4-methylchromen-2-ylidene]oxidanium.

Molecular Properties

Compound Name[7-[(5-chloro-1-benzofuran-2-yl)methoxy]-4-methylchromen-2-ylidene]oxidanium
PubChem CID163451349
Molecular FormulaC19H14ClO4+
Molecular Weight341.77 g/mol
Exact Mass341.06
IUPAC Name[7-[(5-chloro-1-benzofuran-2-yl)methoxy]-4-methylchromen-2-ylidene]oxidanium
SMILES[H]/[O+]=c1\cc(C)c2ccc(OCc3cc4cc(Cl)ccc4o3)cc2o1
InChIInChI=1S/C19H13ClO4/c1-11-6-19(21)24-18-9-14(3-4-16(11)18)22-10-15-8-12-7-13(20)2-5-17(12)23-15/h2-9H,10H2,1H3/p+1
InChIKeyBGWJOEMXYCIPIL-UHFFFAOYSA-O
XLogP4.72
TPSA56.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.77
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-[(3-methylphenoxy)methyl]-1-benzofuran
CID 117175928
3-[(5-chloro-1-benzofuran-2-yl)methoxy]pyridine
CID 117175979
6-chloro-2-[(3-chlorophenoxy)methyl]-1-benzofuran
CID 117179353
6-chloro-2-[(4-fluorophenoxy)methyl]-1-benzofuran
CID 117179379
7-[(7-methoxy-1-benzofuran-2-yl)methoxy]-4-methylchromen-2-one
CID 59603185
6-chloro-2-(phenoxymethyl)-1-benzofuran
CID 117179310
1-[5-[(4-chlorophenoxy)methyl]-3-methylfuran-2-yl]-N-methylmethanamine
CID 55077027
2-[(4-chlorophenoxy)methyl]-1-benzofuran-6-ol
CID 117179375
2-[(3-methylphenoxy)methyl]-1-benzofuran-5-amine
CID 117175925
2-[(3-methoxyphenoxy)methyl]-5-methyl-1-benzofuran
CID 117185258
ethyl 2-(5-chloro-1-benzofuran-2-yl)acetate
CID 82645490
2-[(5-chloro-1-benzofuran-2-yl)methoxy]-2-methylpropanoic acid
CID 14801722

Frequently Asked Questions

What is the IUPAC name of [7-[(5-chloro-1-benzofuran-2-yl)methoxy]-4-methylchromen-2-ylidene]oxidanium?
The IUPAC name of [7-[(5-chloro-1-benzofuran-2-yl)methoxy]-4-methylchromen-2-ylidene]oxidanium (CID 163451349) is [7-[(5-chloro-1-benzofuran-2-yl)methoxy]-4-methylchromen-2-ylidene]oxidanium.
What is the SMILES notation for [7-[(5-chloro-1-benzofuran-2-yl)methoxy]-4-methylchromen-2-ylidene]oxidanium?
The canonical SMILES for [7-[(5-chloro-1-benzofuran-2-yl)methoxy]-4-methylchromen-2-ylidene]oxidanium is [H]/[O+]=c1\cc(C)c2ccc(OCc3cc4cc(Cl)ccc4o3)cc2o1.
What is the InChIKey of [7-[(5-chloro-1-benzofuran-2-yl)methoxy]-4-methylchromen-2-ylidene]oxidanium?
The InChIKey is BGWJOEMXYCIPIL-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H13ClO4/c1-11-6-19(21)24-18-9-14(3-4-16(11)18)22-10-15-8-12-7-13(20)2-5-17(12)23-15/h2-9H,10H2,1H3/p+1.
What are the key properties of [7-[(5-chloro-1-benzofuran-2-yl)methoxy]-4-methylchromen-2-ylidene]oxidanium?
[7-[(5-chloro-1-benzofuran-2-yl)methoxy]-4-methylchromen-2-ylidene]oxidanium has a molecular weight of 341.77 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[(5-chloro-1-benzofuran-2-yl)methoxy]-4-methylchromen-2-ylidene]oxidanium is sourced from PubChem (CID 163451349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).