[3-(2-methylpyrrolidin-1-yl)phenyl]methanol

C12H17NO — CID 104549151

IUPAC[3-(2-methylpyrrolidin-1-yl)phenyl]methanol
SMILESCC1CCCN1c1cccc(CO)c1
InChIInChI=1S/C12H17NO/c1-10-4-3-7-13(10)12-6-2-5-11(8-12)9-14/h2,5-6,8,10,14H,3-4,7,9H2,1H3
InChIKeyZWQKMOGQEKLAEC-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.17
Rot. Bonds2

About [3-(2-methylpyrrolidin-1-yl)phenyl]methanol

[3-(2-methylpyrrolidin-1-yl)phenyl]methanol (PubChem CID 104549151) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is [3-(2-methylpyrrolidin-1-yl)phenyl]methanol.

Molecular Properties

Compound Name[3-(2-methylpyrrolidin-1-yl)phenyl]methanol
PubChem CID104549151
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name[3-(2-methylpyrrolidin-1-yl)phenyl]methanol
SMILESCC1CCCN1c1cccc(CO)c1
InChIInChI=1S/C12H17NO/c1-10-4-3-7-13(10)12-6-2-5-11(8-12)9-14/h2,5-6,8,10,14H,3-4,7,9H2,1H3
InChIKeyZWQKMOGQEKLAEC-UHFFFAOYSA-N
XLogP2.17
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(2-methylpyrrolidin-1-yl)phenyl]methanol?
The IUPAC name of [3-(2-methylpyrrolidin-1-yl)phenyl]methanol (CID 104549151) is [3-(2-methylpyrrolidin-1-yl)phenyl]methanol.
What is the SMILES notation for [3-(2-methylpyrrolidin-1-yl)phenyl]methanol?
The canonical SMILES for [3-(2-methylpyrrolidin-1-yl)phenyl]methanol is CC1CCCN1c1cccc(CO)c1.
What is the InChIKey of [3-(2-methylpyrrolidin-1-yl)phenyl]methanol?
The InChIKey is ZWQKMOGQEKLAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-10-4-3-7-13(10)12-6-2-5-11(8-12)9-14/h2,5-6,8,10,14H,3-4,7,9H2,1H3.
What are the key properties of [3-(2-methylpyrrolidin-1-yl)phenyl]methanol?
[3-(2-methylpyrrolidin-1-yl)phenyl]methanol has a molecular weight of 191.27 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylpyrrolidin-1-yl)phenyl]methanol is sourced from PubChem (CID 104549151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).