2-anilino-3-(4-ethoxy-3-methoxyphenyl)furo[3,2-c]chromen-4-one

C26H21NO5 — CID 18887582

IUPAC2-anilino-3-(4-ethoxy-3-methoxyphenyl)furo[3,2-c]chromen-4-one
SMILESCCOc1ccc(-c2c(Nc3ccccc3)oc3c2c(=O)oc2ccccc23)cc1OC
InChIInChI=1S/C26H21NO5/c1-3-30-20-14-13-16(15-21(20)29-2)22-23-24(18-11-7-8-12-19(18)31-26(23)28)32-25(22)27-17-9-5-4-6-10-17/h4-15,27H,3H2,1-2H3
InChIKeyBCCPZWKFTJLEBV-UHFFFAOYSA-N
MW427.46 g/mol
LogP6.36
Rot. Bonds6

About 2-anilino-3-(4-ethoxy-3-methoxyphenyl)furo[3,2-c]chromen-4-one

2-anilino-3-(4-ethoxy-3-methoxyphenyl)furo[3,2-c]chromen-4-one (PubChem CID 18887582) has the molecular formula C26H21NO5 and a molecular weight of 427.46 g/mol. Its IUPAC name is 2-anilino-3-(4-ethoxy-3-methoxyphenyl)furo[3,2-c]chromen-4-one.

Molecular Properties

Compound Name2-anilino-3-(4-ethoxy-3-methoxyphenyl)furo[3,2-c]chromen-4-one
PubChem CID18887582
Molecular FormulaC26H21NO5
Molecular Weight427.46 g/mol
Exact Mass427.14
IUPAC Name2-anilino-3-(4-ethoxy-3-methoxyphenyl)furo[3,2-c]chromen-4-one
SMILESCCOc1ccc(-c2c(Nc3ccccc3)oc3c2c(=O)oc2ccccc23)cc1OC
InChIInChI=1S/C26H21NO5/c1-3-30-20-14-13-16(15-21(20)29-2)22-23-24(18-11-7-8-12-19(18)31-26(23)28)32-25(22)27-17-9-5-4-6-10-17/h4-15,27H,3H2,1-2H3
InChIKeyBCCPZWKFTJLEBV-UHFFFAOYSA-N
XLogP6.36
TPSA73.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.46
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-3-(4-ethoxy-3-methoxyphenyl)furo[3,2-c]chromen-4-one?
The IUPAC name of 2-anilino-3-(4-ethoxy-3-methoxyphenyl)furo[3,2-c]chromen-4-one (CID 18887582) is 2-anilino-3-(4-ethoxy-3-methoxyphenyl)furo[3,2-c]chromen-4-one.
What is the SMILES notation for 2-anilino-3-(4-ethoxy-3-methoxyphenyl)furo[3,2-c]chromen-4-one?
The canonical SMILES for 2-anilino-3-(4-ethoxy-3-methoxyphenyl)furo[3,2-c]chromen-4-one is CCOc1ccc(-c2c(Nc3ccccc3)oc3c2c(=O)oc2ccccc23)cc1OC.
What is the InChIKey of 2-anilino-3-(4-ethoxy-3-methoxyphenyl)furo[3,2-c]chromen-4-one?
The InChIKey is BCCPZWKFTJLEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21NO5/c1-3-30-20-14-13-16(15-21(20)29-2)22-23-24(18-11-7-8-12-19(18)31-26(23)28)32-25(22)27-17-9-5-4-6-10-17/h4-15,27H,3H2,1-2H3.
What are the key properties of 2-anilino-3-(4-ethoxy-3-methoxyphenyl)furo[3,2-c]chromen-4-one?
2-anilino-3-(4-ethoxy-3-methoxyphenyl)furo[3,2-c]chromen-4-one has a molecular weight of 427.46 g/mol, XLogP of 6.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-3-(4-ethoxy-3-methoxyphenyl)furo[3,2-c]chromen-4-one is sourced from PubChem (CID 18887582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).