2-[3-(4-methoxy-2-methylphenyl)benzo[f]chromen-3-yl]-1-methylpyrrole

C26H23NO2 — CID 69101584

IUPAC2-[3-(4-methoxy-2-methylphenyl)benzo[f]chromen-3-yl]-1-methylpyrrole
SMILESCOc1ccc(C2(c3cccn3C)C=Cc3c(ccc4ccccc34)O2)c(C)c1
InChIInChI=1S/C26H23NO2/c1-18-17-20(28-3)11-12-23(18)26(25-9-6-16-27(25)2)15-14-22-21-8-5-4-7-19(21)10-13-24(22)29-26/h4-17H,1-3H3
InChIKeyLPXVITHQAWHOMR-UHFFFAOYSA-N
MW381.48 g/mol
LogP5.84
Rot. Bonds3

About 2-[3-(4-methoxy-2-methylphenyl)benzo[f]chromen-3-yl]-1-methylpyrrole

2-[3-(4-methoxy-2-methylphenyl)benzo[f]chromen-3-yl]-1-methylpyrrole (PubChem CID 69101584) has the molecular formula C26H23NO2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-[3-(4-methoxy-2-methylphenyl)benzo[f]chromen-3-yl]-1-methylpyrrole.

Molecular Properties

Compound Name2-[3-(4-methoxy-2-methylphenyl)benzo[f]chromen-3-yl]-1-methylpyrrole
PubChem CID69101584
Molecular FormulaC26H23NO2
Molecular Weight381.48 g/mol
Exact Mass381.17
IUPAC Name2-[3-(4-methoxy-2-methylphenyl)benzo[f]chromen-3-yl]-1-methylpyrrole
SMILESCOc1ccc(C2(c3cccn3C)C=Cc3c(ccc4ccccc34)O2)c(C)c1
InChIInChI=1S/C26H23NO2/c1-18-17-20(28-3)11-12-23(18)26(25-9-6-16-27(25)2)15-14-22-21-8-5-4-7-19(21)10-13-24(22)29-26/h4-17H,1-3H3
InChIKeyLPXVITHQAWHOMR-UHFFFAOYSA-N
XLogP5.84
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.48
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxy-2-methylphenyl)benzo[f]chromen-3-yl]-1-methylpyrrole?
The IUPAC name of 2-[3-(4-methoxy-2-methylphenyl)benzo[f]chromen-3-yl]-1-methylpyrrole (CID 69101584) is 2-[3-(4-methoxy-2-methylphenyl)benzo[f]chromen-3-yl]-1-methylpyrrole.
What is the SMILES notation for 2-[3-(4-methoxy-2-methylphenyl)benzo[f]chromen-3-yl]-1-methylpyrrole?
The canonical SMILES for 2-[3-(4-methoxy-2-methylphenyl)benzo[f]chromen-3-yl]-1-methylpyrrole is COc1ccc(C2(c3cccn3C)C=Cc3c(ccc4ccccc34)O2)c(C)c1.
What is the InChIKey of 2-[3-(4-methoxy-2-methylphenyl)benzo[f]chromen-3-yl]-1-methylpyrrole?
The InChIKey is LPXVITHQAWHOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO2/c1-18-17-20(28-3)11-12-23(18)26(25-9-6-16-27(25)2)15-14-22-21-8-5-4-7-19(21)10-13-24(22)29-26/h4-17H,1-3H3.
What are the key properties of 2-[3-(4-methoxy-2-methylphenyl)benzo[f]chromen-3-yl]-1-methylpyrrole?
2-[3-(4-methoxy-2-methylphenyl)benzo[f]chromen-3-yl]-1-methylpyrrole has a molecular weight of 381.48 g/mol, XLogP of 5.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxy-2-methylphenyl)benzo[f]chromen-3-yl]-1-methylpyrrole is sourced from PubChem (CID 69101584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).