2-anilino-3-(4-propan-2-ylphenyl)furo[3,2-c]chromen-4-one

C26H21NO3 — CID 18887555

IUPAC2-anilino-3-(4-propan-2-ylphenyl)furo[3,2-c]chromen-4-one
SMILESCC(C)c1ccc(-c2c(Nc3ccccc3)oc3c2c(=O)oc2ccccc23)cc1
InChIInChI=1S/C26H21NO3/c1-16(2)17-12-14-18(15-13-17)22-23-24(20-10-6-7-11-21(20)29-26(23)28)30-25(22)27-19-8-4-3-5-9-19/h3-16,27H,1-2H3
InChIKeyMQUMNSUUHUDXPF-UHFFFAOYSA-N
MW395.46 g/mol
LogP7.07
Rot. Bonds4

About 2-anilino-3-(4-propan-2-ylphenyl)furo[3,2-c]chromen-4-one

2-anilino-3-(4-propan-2-ylphenyl)furo[3,2-c]chromen-4-one (PubChem CID 18887555) has the molecular formula C26H21NO3 and a molecular weight of 395.46 g/mol. Its IUPAC name is 2-anilino-3-(4-propan-2-ylphenyl)furo[3,2-c]chromen-4-one.

Molecular Properties

Compound Name2-anilino-3-(4-propan-2-ylphenyl)furo[3,2-c]chromen-4-one
PubChem CID18887555
Molecular FormulaC26H21NO3
Molecular Weight395.46 g/mol
Exact Mass395.15
IUPAC Name2-anilino-3-(4-propan-2-ylphenyl)furo[3,2-c]chromen-4-one
SMILESCC(C)c1ccc(-c2c(Nc3ccccc3)oc3c2c(=O)oc2ccccc23)cc1
InChIInChI=1S/C26H21NO3/c1-16(2)17-12-14-18(15-13-17)22-23-24(20-10-6-7-11-21(20)29-26(23)28)30-25(22)27-19-8-4-3-5-9-19/h3-16,27H,1-2H3
InChIKeyMQUMNSUUHUDXPF-UHFFFAOYSA-N
XLogP7.07
TPSA55.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.46
LogP ≤ 57.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 71584257
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CID 16649088
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CID 11200525
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CID 11280858
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CID 11304853
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CID 12024775
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CID 12152581
CID 12152581

Frequently Asked Questions

What is the IUPAC name of 2-anilino-3-(4-propan-2-ylphenyl)furo[3,2-c]chromen-4-one?
The IUPAC name of 2-anilino-3-(4-propan-2-ylphenyl)furo[3,2-c]chromen-4-one (CID 18887555) is 2-anilino-3-(4-propan-2-ylphenyl)furo[3,2-c]chromen-4-one.
What is the SMILES notation for 2-anilino-3-(4-propan-2-ylphenyl)furo[3,2-c]chromen-4-one?
The canonical SMILES for 2-anilino-3-(4-propan-2-ylphenyl)furo[3,2-c]chromen-4-one is CC(C)c1ccc(-c2c(Nc3ccccc3)oc3c2c(=O)oc2ccccc23)cc1.
What is the InChIKey of 2-anilino-3-(4-propan-2-ylphenyl)furo[3,2-c]chromen-4-one?
The InChIKey is MQUMNSUUHUDXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21NO3/c1-16(2)17-12-14-18(15-13-17)22-23-24(20-10-6-7-11-21(20)29-26(23)28)30-25(22)27-19-8-4-3-5-9-19/h3-16,27H,1-2H3.
What are the key properties of 2-anilino-3-(4-propan-2-ylphenyl)furo[3,2-c]chromen-4-one?
2-anilino-3-(4-propan-2-ylphenyl)furo[3,2-c]chromen-4-one has a molecular weight of 395.46 g/mol, XLogP of 7.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-3-(4-propan-2-ylphenyl)furo[3,2-c]chromen-4-one is sourced from PubChem (CID 18887555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).