1-[2-[2-(7-methoxy-3-phenyl-1,2-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrole

C29H27NO2 — CID 67674349

IUPAC1-[2-[2-(7-methoxy-3-phenyl-1,2-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrole
SMILESCOc1ccc2c(c1)C(c1ccccc1OCCn1cccc1)CC(c1ccccc1)=C2
InChIInChI=1S/C29H27NO2/c1-31-25-14-13-23-19-24(22-9-3-2-4-10-22)20-28(27(23)21-25)26-11-5-6-12-29(26)32-18-17-30-15-7-8-16-30/h2-16,19,21,28H,17-18,20H2,1H3
InChIKeyGNYXPKMBYSQBFW-UHFFFAOYSA-N
MW421.54 g/mol
LogP6.65
Rot. Bonds7

About 1-[2-[2-(7-methoxy-3-phenyl-1,2-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrole

1-[2-[2-(7-methoxy-3-phenyl-1,2-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrole (PubChem CID 67674349) has the molecular formula C29H27NO2 and a molecular weight of 421.54 g/mol. Its IUPAC name is 1-[2-[2-(7-methoxy-3-phenyl-1,2-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrole.

Molecular Properties

Compound Name1-[2-[2-(7-methoxy-3-phenyl-1,2-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrole
PubChem CID67674349
Molecular FormulaC29H27NO2
Molecular Weight421.54 g/mol
Exact Mass421.20
IUPAC Name1-[2-[2-(7-methoxy-3-phenyl-1,2-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrole
SMILESCOc1ccc2c(c1)C(c1ccccc1OCCn1cccc1)CC(c1ccccc1)=C2
InChIInChI=1S/C29H27NO2/c1-31-25-14-13-23-19-24(22-9-3-2-4-10-22)20-28(27(23)21-25)26-11-5-6-12-29(26)32-18-17-30-15-7-8-16-30/h2-16,19,21,28H,17-18,20H2,1H3
InChIKeyGNYXPKMBYSQBFW-UHFFFAOYSA-N
XLogP6.65
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.54
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(7-methoxy-3-phenyl-1,2-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrole?
The IUPAC name of 1-[2-[2-(7-methoxy-3-phenyl-1,2-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrole (CID 67674349) is 1-[2-[2-(7-methoxy-3-phenyl-1,2-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrole.
What is the SMILES notation for 1-[2-[2-(7-methoxy-3-phenyl-1,2-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrole?
The canonical SMILES for 1-[2-[2-(7-methoxy-3-phenyl-1,2-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrole is COc1ccc2c(c1)C(c1ccccc1OCCn1cccc1)CC(c1ccccc1)=C2.
What is the InChIKey of 1-[2-[2-(7-methoxy-3-phenyl-1,2-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrole?
The InChIKey is GNYXPKMBYSQBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27NO2/c1-31-25-14-13-23-19-24(22-9-3-2-4-10-22)20-28(27(23)21-25)26-11-5-6-12-29(26)32-18-17-30-15-7-8-16-30/h2-16,19,21,28H,17-18,20H2,1H3.
What are the key properties of 1-[2-[2-(7-methoxy-3-phenyl-1,2-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrole?
1-[2-[2-(7-methoxy-3-phenyl-1,2-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrole has a molecular weight of 421.54 g/mol, XLogP of 6.65, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(7-methoxy-3-phenyl-1,2-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrole is sourced from PubChem (CID 67674349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).