4-[(3-methoxypyrrolidin-3-yl)methyl]phenol

C12H17NO2 — CID 105460442

IUPAC4-[(3-methoxypyrrolidin-3-yl)methyl]phenol
SMILESCOC1(Cc2ccc(O)cc2)CCNC1
InChIInChI=1S/C12H17NO2/c1-15-12(6-7-13-9-12)8-10-2-4-11(14)5-3-10/h2-5,13-14H,6-9H2,1H3
InChIKeyXROKZWSWKOANSB-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.31
Rot. Bonds3

About 4-[(3-methoxypyrrolidin-3-yl)methyl]phenol

4-[(3-methoxypyrrolidin-3-yl)methyl]phenol (PubChem CID 105460442) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 4-[(3-methoxypyrrolidin-3-yl)methyl]phenol.

Molecular Properties

Compound Name4-[(3-methoxypyrrolidin-3-yl)methyl]phenol
PubChem CID105460442
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name4-[(3-methoxypyrrolidin-3-yl)methyl]phenol
SMILESCOC1(Cc2ccc(O)cc2)CCNC1
InChIInChI=1S/C12H17NO2/c1-15-12(6-7-13-9-12)8-10-2-4-11(14)5-3-10/h2-5,13-14H,6-9H2,1H3
InChIKeyXROKZWSWKOANSB-UHFFFAOYSA-N
XLogP1.31
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxypyrrolidin-3-yl)methyl]phenol?
The IUPAC name of 4-[(3-methoxypyrrolidin-3-yl)methyl]phenol (CID 105460442) is 4-[(3-methoxypyrrolidin-3-yl)methyl]phenol.
What is the SMILES notation for 4-[(3-methoxypyrrolidin-3-yl)methyl]phenol?
The canonical SMILES for 4-[(3-methoxypyrrolidin-3-yl)methyl]phenol is COC1(Cc2ccc(O)cc2)CCNC1.
What is the InChIKey of 4-[(3-methoxypyrrolidin-3-yl)methyl]phenol?
The InChIKey is XROKZWSWKOANSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-15-12(6-7-13-9-12)8-10-2-4-11(14)5-3-10/h2-5,13-14H,6-9H2,1H3.
What are the key properties of 4-[(3-methoxypyrrolidin-3-yl)methyl]phenol?
4-[(3-methoxypyrrolidin-3-yl)methyl]phenol has a molecular weight of 207.27 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxypyrrolidin-3-yl)methyl]phenol is sourced from PubChem (CID 105460442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).