4-(3-phenylmethoxypropyl)-3H-pyrrole

C14H17NO — CID 147648680

IUPAC4-(3-phenylmethoxypropyl)-3H-pyrrole
SMILESC1=NC=C(CCCOCc2ccccc2)C1
InChIInChI=1S/C14H17NO/c1-2-5-14(6-3-1)12-16-10-4-7-13-8-9-15-11-13/h1-3,5-6,9,11H,4,7-8,10,12H2
InChIKeyGJBNLVKPIGASCQ-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.34
Rot. Bonds6

About 4-(3-phenylmethoxypropyl)-3H-pyrrole

4-(3-phenylmethoxypropyl)-3H-pyrrole (PubChem CID 147648680) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 4-(3-phenylmethoxypropyl)-3H-pyrrole.

Molecular Properties

Compound Name4-(3-phenylmethoxypropyl)-3H-pyrrole
PubChem CID147648680
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name4-(3-phenylmethoxypropyl)-3H-pyrrole
SMILESC1=NC=C(CCCOCc2ccccc2)C1
InChIInChI=1S/C14H17NO/c1-2-5-14(6-3-1)12-16-10-4-7-13-8-9-15-11-13/h1-3,5-6,9,11H,4,7-8,10,12H2
InChIKeyGJBNLVKPIGASCQ-UHFFFAOYSA-N
XLogP3.34
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene
CID 135358353
1-iodo-4-(3-phenylmethoxypropyl)benzene
CID 10937065
tribromo(3-phenylmethoxypropyl)silane
CID 66954985
2,4,6-tris(4-phenylmethoxybutoxy)-1,3,5-triazine
CID 139880669
1-iodo-3,5-bis(3-phenylmethoxypropyl)benzene
CID 10907222
butoxymethylbenzene;ethane
CID 145341806
5-(3-phenylmethoxypropyl)-2,3-dihydrofuran
CID 10398485
5-bromopentoxymethylbenzene;1,5-dibromopentane
CID 161240377
lithium;butoxymethylbenzene;hydride
CID 175482454
15-bromopentadecoxymethylbenzene
CID 11338468
trimethyl(11-phenylmethoxyundecyl)silane
CID 20775242
1-[[4-(3-phenylpropoxymethyl)phenyl]methyl]piperidine
CID 54429308

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenylmethoxypropyl)-3H-pyrrole?
The IUPAC name of 4-(3-phenylmethoxypropyl)-3H-pyrrole (CID 147648680) is 4-(3-phenylmethoxypropyl)-3H-pyrrole.
What is the SMILES notation for 4-(3-phenylmethoxypropyl)-3H-pyrrole?
The canonical SMILES for 4-(3-phenylmethoxypropyl)-3H-pyrrole is C1=NC=C(CCCOCc2ccccc2)C1.
What is the InChIKey of 4-(3-phenylmethoxypropyl)-3H-pyrrole?
The InChIKey is GJBNLVKPIGASCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-2-5-14(6-3-1)12-16-10-4-7-13-8-9-15-11-13/h1-3,5-6,9,11H,4,7-8,10,12H2.
What are the key properties of 4-(3-phenylmethoxypropyl)-3H-pyrrole?
4-(3-phenylmethoxypropyl)-3H-pyrrole has a molecular weight of 215.30 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenylmethoxypropyl)-3H-pyrrole is sourced from PubChem (CID 147648680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).