4-(1-hydroxy-2-pyrrolidin-1-ylethyl)phenol

C12H17NO2 — CID 11492169

IUPAC4-(1-hydroxy-2-pyrrolidin-1-ylethyl)phenol
SMILESOc1ccc(C(O)CN2CCCC2)cc1
InChIInChI=1S/C12H17NO2/c14-11-5-3-10(4-6-11)12(15)9-13-7-1-2-8-13/h3-6,12,14-15H,1-2,7-9H2
InChIKeyBDXCHTVWKYQHAW-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.52
Rot. Bonds3

About 4-(1-hydroxy-2-pyrrolidin-1-ylethyl)phenol

4-(1-hydroxy-2-pyrrolidin-1-ylethyl)phenol (PubChem CID 11492169) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 4-(1-hydroxy-2-pyrrolidin-1-ylethyl)phenol.

Molecular Properties

Compound Name4-(1-hydroxy-2-pyrrolidin-1-ylethyl)phenol
PubChem CID11492169
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name4-(1-hydroxy-2-pyrrolidin-1-ylethyl)phenol
SMILESOc1ccc(C(O)CN2CCCC2)cc1
InChIInChI=1S/C12H17NO2/c14-11-5-3-10(4-6-11)12(15)9-13-7-1-2-8-13/h3-6,12,14-15H,1-2,7-9H2
InChIKeyBDXCHTVWKYQHAW-UHFFFAOYSA-N
XLogP1.52
TPSA43.70 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 ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-2-pyrrolidin-1-ylethanol
CID 66874094
1-(4-ethylphenyl)-2-pyrrolidin-1-ylethanol
CID 56686959
2-(azepan-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 117244530
2-(azepan-1-yl)-1-(4-methoxyphenyl)ethanol
CID 54944635
1-(4-phenoxyphenyl)-2-pyrrolidin-1-ylethanol
CID 57207345
4-[4-[2-(4-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]phenol
CID 110884687
2-(aziridin-1-yl)-1-(4-methylphenyl)ethanol
CID 82125221
N'-hydroxy-4-[(1S)-1-hydroxy-2-piperidin-1-ylethyl]benzenecarboximidamide
CID 141290010
2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
CID 82118360
4-[2-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;phenol
CID 145052357
2-(4-ethyl-1,4-diazepan-1-yl)-1-(4-methylphenyl)ethanol
CID 111476786
(3aR,6aS)-2-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
CID 144818647

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxy-2-pyrrolidin-1-ylethyl)phenol?
The IUPAC name of 4-(1-hydroxy-2-pyrrolidin-1-ylethyl)phenol (CID 11492169) is 4-(1-hydroxy-2-pyrrolidin-1-ylethyl)phenol.
What is the SMILES notation for 4-(1-hydroxy-2-pyrrolidin-1-ylethyl)phenol?
The canonical SMILES for 4-(1-hydroxy-2-pyrrolidin-1-ylethyl)phenol is Oc1ccc(C(O)CN2CCCC2)cc1.
What is the InChIKey of 4-(1-hydroxy-2-pyrrolidin-1-ylethyl)phenol?
The InChIKey is BDXCHTVWKYQHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c14-11-5-3-10(4-6-11)12(15)9-13-7-1-2-8-13/h3-6,12,14-15H,1-2,7-9H2.
What are the key properties of 4-(1-hydroxy-2-pyrrolidin-1-ylethyl)phenol?
4-(1-hydroxy-2-pyrrolidin-1-ylethyl)phenol has a molecular weight of 207.27 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxy-2-pyrrolidin-1-ylethyl)phenol is sourced from PubChem (CID 11492169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).