3-(2,5-dihydro-1H-pyrrol-3-ylmethoxy)phenol

C11H13NO2 — CID 117205413

IUPAC3-(2,5-dihydro-1H-pyrrol-3-ylmethoxy)phenol
SMILESOc1cccc(OCC2=CCNC2)c1
InChIInChI=1S/C11H13NO2/c13-10-2-1-3-11(6-10)14-8-9-4-5-12-7-9/h1-4,6,12-13H,5,7-8H2
InChIKeyPKUUBRBRSKJGJT-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.30
Rot. Bonds3

About 3-(2,5-dihydro-1H-pyrrol-3-ylmethoxy)phenol

3-(2,5-dihydro-1H-pyrrol-3-ylmethoxy)phenol (PubChem CID 117205413) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 3-(2,5-dihydro-1H-pyrrol-3-ylmethoxy)phenol.

Molecular Properties

Compound Name3-(2,5-dihydro-1H-pyrrol-3-ylmethoxy)phenol
PubChem CID117205413
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name3-(2,5-dihydro-1H-pyrrol-3-ylmethoxy)phenol
SMILESOc1cccc(OCC2=CCNC2)c1
InChIInChI=1S/C11H13NO2/c13-10-2-1-3-11(6-10)14-8-9-4-5-12-7-9/h1-4,6,12-13H,5,7-8H2
InChIKeyPKUUBRBRSKJGJT-UHFFFAOYSA-N
XLogP1.30
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-methoxyphenoxy)methyl]-2,5-dihydro-1H-pyrrole
CID 117205414
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CID 117125457
3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-ylmethoxy)phenol
CID 59027955
(3-hydroxyphenyl) 2-(1,2,3,6-tetrahydropyridin-5-yl)acetate
CID 117125658
3-[2-(3-bromophenoxy)ethoxy]phenol
CID 39445112
2-[(3-hydroxyphenoxy)methyl]-1H-indol-6-ol
CID 117180212
(3-hydroxyphenyl) 3-(1,2,3,6-tetrahydropyridin-5-yl)propanoate
CID 117125748
3-[2-(methylamino)ethoxy]phenol
CID 83619980
3-(3-hydroxyphenoxy)propanal
CID 84765037
1-bromo-3-(cyclobuten-1-ylmethoxy)benzene
CID 99992080
3-[(2-bromocyclohexen-1-yl)methoxy]phenol
CID 11011478
3-ethoxyphenol;iodoethane
CID 162028202

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dihydro-1H-pyrrol-3-ylmethoxy)phenol?
The IUPAC name of 3-(2,5-dihydro-1H-pyrrol-3-ylmethoxy)phenol (CID 117205413) is 3-(2,5-dihydro-1H-pyrrol-3-ylmethoxy)phenol.
What is the SMILES notation for 3-(2,5-dihydro-1H-pyrrol-3-ylmethoxy)phenol?
The canonical SMILES for 3-(2,5-dihydro-1H-pyrrol-3-ylmethoxy)phenol is Oc1cccc(OCC2=CCNC2)c1.
What is the InChIKey of 3-(2,5-dihydro-1H-pyrrol-3-ylmethoxy)phenol?
The InChIKey is PKUUBRBRSKJGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c13-10-2-1-3-11(6-10)14-8-9-4-5-12-7-9/h1-4,6,12-13H,5,7-8H2.
What are the key properties of 3-(2,5-dihydro-1H-pyrrol-3-ylmethoxy)phenol?
3-(2,5-dihydro-1H-pyrrol-3-ylmethoxy)phenol has a molecular weight of 191.23 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dihydro-1H-pyrrol-3-ylmethoxy)phenol is sourced from PubChem (CID 117205413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).