2-[4-methoxy-3-(3-methoxypropoxy)phenyl]-3-prop-1-en-2-yl-1H-pyrrole

C18H23NO3 — CID 141167312

IUPAC2-[4-methoxy-3-(3-methoxypropoxy)phenyl]-3-prop-1-en-2-yl-1H-pyrrole
SMILESC=C(C)c1cc[nH]c1-c1ccc(OC)c(OCCCOC)c1
InChIInChI=1S/C18H23NO3/c1-13(2)15-8-9-19-18(15)14-6-7-16(21-4)17(12-14)22-11-5-10-20-3/h6-9,12,19H,1,5,10-11H2,2-4H3
InChIKeyQOKGFELQHKZLKC-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.14
Rot. Bonds8

About 2-[4-methoxy-3-(3-methoxypropoxy)phenyl]-3-prop-1-en-2-yl-1H-pyrrole

2-[4-methoxy-3-(3-methoxypropoxy)phenyl]-3-prop-1-en-2-yl-1H-pyrrole (PubChem CID 141167312) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[4-methoxy-3-(3-methoxypropoxy)phenyl]-3-prop-1-en-2-yl-1H-pyrrole.

Molecular Properties

Compound Name2-[4-methoxy-3-(3-methoxypropoxy)phenyl]-3-prop-1-en-2-yl-1H-pyrrole
PubChem CID141167312
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name2-[4-methoxy-3-(3-methoxypropoxy)phenyl]-3-prop-1-en-2-yl-1H-pyrrole
SMILESC=C(C)c1cc[nH]c1-c1ccc(OC)c(OCCCOC)c1
InChIInChI=1S/C18H23NO3/c1-13(2)15-8-9-19-18(15)14-6-7-16(21-4)17(12-14)22-11-5-10-20-3/h6-9,12,19H,1,5,10-11H2,2-4H3
InChIKeyQOKGFELQHKZLKC-UHFFFAOYSA-N
XLogP4.14
TPSA43.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-3-(3-methoxypropoxy)phenyl]-3-prop-1-en-2-yl-1H-pyrrole?
The IUPAC name of 2-[4-methoxy-3-(3-methoxypropoxy)phenyl]-3-prop-1-en-2-yl-1H-pyrrole (CID 141167312) is 2-[4-methoxy-3-(3-methoxypropoxy)phenyl]-3-prop-1-en-2-yl-1H-pyrrole.
What is the SMILES notation for 2-[4-methoxy-3-(3-methoxypropoxy)phenyl]-3-prop-1-en-2-yl-1H-pyrrole?
The canonical SMILES for 2-[4-methoxy-3-(3-methoxypropoxy)phenyl]-3-prop-1-en-2-yl-1H-pyrrole is C=C(C)c1cc[nH]c1-c1ccc(OC)c(OCCCOC)c1.
What is the InChIKey of 2-[4-methoxy-3-(3-methoxypropoxy)phenyl]-3-prop-1-en-2-yl-1H-pyrrole?
The InChIKey is QOKGFELQHKZLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-13(2)15-8-9-19-18(15)14-6-7-16(21-4)17(12-14)22-11-5-10-20-3/h6-9,12,19H,1,5,10-11H2,2-4H3.
What are the key properties of 2-[4-methoxy-3-(3-methoxypropoxy)phenyl]-3-prop-1-en-2-yl-1H-pyrrole?
2-[4-methoxy-3-(3-methoxypropoxy)phenyl]-3-prop-1-en-2-yl-1H-pyrrole has a molecular weight of 301.39 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxy-3-(3-methoxypropoxy)phenyl]-3-prop-1-en-2-yl-1H-pyrrole is sourced from PubChem (CID 141167312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).