4-[(4-hydroxyphenyl)methyl]-3-methylpyrrolidin-3-ol

C12H17NO2 — CID 115025240

IUPAC4-[(4-hydroxyphenyl)methyl]-3-methylpyrrolidin-3-ol
SMILESCC1(O)CNCC1Cc1ccc(O)cc1
InChIInChI=1S/C12H17NO2/c1-12(15)8-13-7-10(12)6-9-2-4-11(14)5-3-9/h2-5,10,13-15H,6-8H2,1H3
InChIKeyYCQNSIWPBLPQPZ-UHFFFAOYSA-N
MW207.27 g/mol
LogP0.91
Rot. Bonds2

About 4-[(4-hydroxyphenyl)methyl]-3-methylpyrrolidin-3-ol

4-[(4-hydroxyphenyl)methyl]-3-methylpyrrolidin-3-ol (PubChem CID 115025240) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 4-[(4-hydroxyphenyl)methyl]-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name4-[(4-hydroxyphenyl)methyl]-3-methylpyrrolidin-3-ol
PubChem CID115025240
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name4-[(4-hydroxyphenyl)methyl]-3-methylpyrrolidin-3-ol
SMILESCC1(O)CNCC1Cc1ccc(O)cc1
InChIInChI=1S/C12H17NO2/c1-12(15)8-13-7-10(12)6-9-2-4-11(14)5-3-9/h2-5,10,13-15H,6-8H2,1H3
InChIKeyYCQNSIWPBLPQPZ-UHFFFAOYSA-N
XLogP0.91
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxyphenyl)methyl]-3-methylpyrrolidin-3-ol?
The IUPAC name of 4-[(4-hydroxyphenyl)methyl]-3-methylpyrrolidin-3-ol (CID 115025240) is 4-[(4-hydroxyphenyl)methyl]-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 4-[(4-hydroxyphenyl)methyl]-3-methylpyrrolidin-3-ol?
The canonical SMILES for 4-[(4-hydroxyphenyl)methyl]-3-methylpyrrolidin-3-ol is CC1(O)CNCC1Cc1ccc(O)cc1.
What is the InChIKey of 4-[(4-hydroxyphenyl)methyl]-3-methylpyrrolidin-3-ol?
The InChIKey is YCQNSIWPBLPQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-12(15)8-13-7-10(12)6-9-2-4-11(14)5-3-9/h2-5,10,13-15H,6-8H2,1H3.
What are the key properties of 4-[(4-hydroxyphenyl)methyl]-3-methylpyrrolidin-3-ol?
4-[(4-hydroxyphenyl)methyl]-3-methylpyrrolidin-3-ol has a molecular weight of 207.27 g/mol, XLogP of 0.91, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxyphenyl)methyl]-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 115025240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).