2,3-bis(phenylmethoxy)-1H-pyrrole

C18H17NO2 — CID 67393754

IUPAC2,3-bis(phenylmethoxy)-1H-pyrrole
SMILESc1ccc(COc2cc[nH]c2OCc2ccccc2)cc1
InChIInChI=1S/C18H17NO2/c1-3-7-15(8-4-1)13-20-17-11-12-19-18(17)21-14-16-9-5-2-6-10-16/h1-12,19H,13-14H2
InChIKeyLWZNRDQEOPWAOK-UHFFFAOYSA-N
MW279.34 g/mol
LogP4.17
Rot. Bonds6

About 2,3-bis(phenylmethoxy)-1H-pyrrole

2,3-bis(phenylmethoxy)-1H-pyrrole (PubChem CID 67393754) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2,3-bis(phenylmethoxy)-1H-pyrrole.

Molecular Properties

Compound Name2,3-bis(phenylmethoxy)-1H-pyrrole
PubChem CID67393754
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name2,3-bis(phenylmethoxy)-1H-pyrrole
SMILESc1ccc(COc2cc[nH]c2OCc2ccccc2)cc1
InChIInChI=1S/C18H17NO2/c1-3-7-15(8-4-1)13-20-17-11-12-19-18(17)21-14-16-9-5-2-6-10-16/h1-12,19H,13-14H2
InChIKeyLWZNRDQEOPWAOK-UHFFFAOYSA-N
XLogP4.17
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(phenylmethoxy)-1H-pyrrole?
The IUPAC name of 2,3-bis(phenylmethoxy)-1H-pyrrole (CID 67393754) is 2,3-bis(phenylmethoxy)-1H-pyrrole.
What is the SMILES notation for 2,3-bis(phenylmethoxy)-1H-pyrrole?
The canonical SMILES for 2,3-bis(phenylmethoxy)-1H-pyrrole is c1ccc(COc2cc[nH]c2OCc2ccccc2)cc1.
What is the InChIKey of 2,3-bis(phenylmethoxy)-1H-pyrrole?
The InChIKey is LWZNRDQEOPWAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-3-7-15(8-4-1)13-20-17-11-12-19-18(17)21-14-16-9-5-2-6-10-16/h1-12,19H,13-14H2.
What are the key properties of 2,3-bis(phenylmethoxy)-1H-pyrrole?
2,3-bis(phenylmethoxy)-1H-pyrrole has a molecular weight of 279.34 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(phenylmethoxy)-1H-pyrrole is sourced from PubChem (CID 67393754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).