2-(2-phenyl-3,4-dihydrochromen-2-yl)-1H-pyrrole

C19H17NO — CID 175969922

IUPAC2-(2-phenyl-3,4-dihydrochromen-2-yl)-1H-pyrrole
SMILESc1ccc(C2(c3ccc[nH]3)CCc3ccccc3O2)cc1
InChIInChI=1S/C19H17NO/c1-2-8-16(9-3-1)19(18-11-6-14-20-18)13-12-15-7-4-5-10-17(15)21-19/h1-11,14,20H,12-13H2
InChIKeyVJHMRHWUGWZAAM-UHFFFAOYSA-N
MW275.35 g/mol
LogP4.28
Rot. Bonds2

About 2-(2-phenyl-3,4-dihydrochromen-2-yl)-1H-pyrrole

2-(2-phenyl-3,4-dihydrochromen-2-yl)-1H-pyrrole (PubChem CID 175969922) has the molecular formula C19H17NO and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-(2-phenyl-3,4-dihydrochromen-2-yl)-1H-pyrrole.

Molecular Properties

Compound Name2-(2-phenyl-3,4-dihydrochromen-2-yl)-1H-pyrrole
PubChem CID175969922
Molecular FormulaC19H17NO
Molecular Weight275.35 g/mol
Exact Mass275.13
IUPAC Name2-(2-phenyl-3,4-dihydrochromen-2-yl)-1H-pyrrole
SMILESc1ccc(C2(c3ccc[nH]3)CCc3ccccc3O2)cc1
InChIInChI=1S/C19H17NO/c1-2-8-16(9-3-1)19(18-11-6-14-20-18)13-12-15-7-4-5-10-17(15)21-19/h1-11,14,20H,12-13H2
InChIKeyVJHMRHWUGWZAAM-UHFFFAOYSA-N
XLogP4.28
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenyl-3,4-dihydrochromen-2-yl)-1H-pyrrole?
The IUPAC name of 2-(2-phenyl-3,4-dihydrochromen-2-yl)-1H-pyrrole (CID 175969922) is 2-(2-phenyl-3,4-dihydrochromen-2-yl)-1H-pyrrole.
What is the SMILES notation for 2-(2-phenyl-3,4-dihydrochromen-2-yl)-1H-pyrrole?
The canonical SMILES for 2-(2-phenyl-3,4-dihydrochromen-2-yl)-1H-pyrrole is c1ccc(C2(c3ccc[nH]3)CCc3ccccc3O2)cc1.
What is the InChIKey of 2-(2-phenyl-3,4-dihydrochromen-2-yl)-1H-pyrrole?
The InChIKey is VJHMRHWUGWZAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO/c1-2-8-16(9-3-1)19(18-11-6-14-20-18)13-12-15-7-4-5-10-17(15)21-19/h1-11,14,20H,12-13H2.
What are the key properties of 2-(2-phenyl-3,4-dihydrochromen-2-yl)-1H-pyrrole?
2-(2-phenyl-3,4-dihydrochromen-2-yl)-1H-pyrrole has a molecular weight of 275.35 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenyl-3,4-dihydrochromen-2-yl)-1H-pyrrole is sourced from PubChem (CID 175969922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).