ethane;1-(2-ethylphenyl)pyrrole;4-methyldibenzofuran

C27H29NO — CID 142201060

IUPACethane;1-(2-ethylphenyl)pyrrole;4-methyldibenzofuran
SMILESCC.CCc1ccccc1-n1cccc1.Cc1cccc2c1oc1ccccc12
InChIInChI=1S/C13H10O.C12H13N.C2H6/c1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11;1-2-11-7-3-4-8-12(11)13-9-5-6-10-13;1-2/h2-8H,1H3;3-10H,2H2,1H3;1-2H3
InChIKeyKJSTZULXTZHVAB-UHFFFAOYSA-N
MW383.54 g/mol
LogP7.96
Rot. Bonds2

About ethane;1-(2-ethylphenyl)pyrrole;4-methyldibenzofuran

ethane;1-(2-ethylphenyl)pyrrole;4-methyldibenzofuran (PubChem CID 142201060) has the molecular formula C27H29NO and a molecular weight of 383.54 g/mol. Its IUPAC name is ethane;1-(2-ethylphenyl)pyrrole;4-methyldibenzofuran.

Molecular Properties

Compound Nameethane;1-(2-ethylphenyl)pyrrole;4-methyldibenzofuran
PubChem CID142201060
Molecular FormulaC27H29NO
Molecular Weight383.54 g/mol
Exact Mass383.22
IUPAC Nameethane;1-(2-ethylphenyl)pyrrole;4-methyldibenzofuran
SMILESCC.CCc1ccccc1-n1cccc1.Cc1cccc2c1oc1ccccc12
InChIInChI=1S/C13H10O.C12H13N.C2H6/c1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11;1-2-11-7-3-4-8-12(11)13-9-5-6-10-13;1-2/h2-8H,1H3;3-10H,2H2,1H3;1-2H3
InChIKeyKJSTZULXTZHVAB-UHFFFAOYSA-N
XLogP7.96
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.54
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(2-ethylphenyl)pyrrole;4-methyldibenzofuran?
The IUPAC name of ethane;1-(2-ethylphenyl)pyrrole;4-methyldibenzofuran (CID 142201060) is ethane;1-(2-ethylphenyl)pyrrole;4-methyldibenzofuran.
What is the SMILES notation for ethane;1-(2-ethylphenyl)pyrrole;4-methyldibenzofuran?
The canonical SMILES for ethane;1-(2-ethylphenyl)pyrrole;4-methyldibenzofuran is CC.CCc1ccccc1-n1cccc1.Cc1cccc2c1oc1ccccc12.
What is the InChIKey of ethane;1-(2-ethylphenyl)pyrrole;4-methyldibenzofuran?
The InChIKey is KJSTZULXTZHVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O.C12H13N.C2H6/c1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11;1-2-11-7-3-4-8-12(11)13-9-5-6-10-13;1-2/h2-8H,1H3;3-10H,2H2,1H3;1-2H3.
What are the key properties of ethane;1-(2-ethylphenyl)pyrrole;4-methyldibenzofuran?
ethane;1-(2-ethylphenyl)pyrrole;4-methyldibenzofuran has a molecular weight of 383.54 g/mol, XLogP of 7.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(2-ethylphenyl)pyrrole;4-methyldibenzofuran is sourced from PubChem (CID 142201060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).