3-pyrrolidin-3-ylphenol;hydrochloride

C10H14ClNO — CID 139593330

IUPAC3-pyrrolidin-3-ylphenol;hydrochloride
SMILESCl.Oc1cccc(C2CCNC2)c1
InChIInChI=1S/C10H13NO.ClH/c12-10-3-1-2-8(6-10)9-4-5-11-7-9;/h1-3,6,9,11-12H,4-5,7H2;1H
InChIKeyKQQYBQCYWCUOGH-UHFFFAOYSA-N
MW199.68 g/mol
LogP1.89
Rot. Bonds1

About 3-pyrrolidin-3-ylphenol;hydrochloride

3-pyrrolidin-3-ylphenol;hydrochloride (PubChem CID 139593330) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 3-pyrrolidin-3-ylphenol;hydrochloride.

Molecular Properties

Compound Name3-pyrrolidin-3-ylphenol;hydrochloride
PubChem CID139593330
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name3-pyrrolidin-3-ylphenol;hydrochloride
SMILESCl.Oc1cccc(C2CCNC2)c1
InChIInChI=1S/C10H13NO.ClH/c12-10-3-1-2-8(6-10)9-4-5-11-7-9;/h1-3,6,9,11-12H,4-5,7H2;1H
InChIKeyKQQYBQCYWCUOGH-UHFFFAOYSA-N
XLogP1.89
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-pyrrolidin-3-ylphenol
CID 12937992
3-(3-iodophenyl)pyrrolidine;hydrochloride
CID 169498448
3-[(3S)-pyrrolidin-3-yl]aniline
CID 86324837
3-pyrrolidin-3-ylbenzonitrile;hydrochloride
CID 139593331
3-(2-pyrrolidin-3-yl-4,5-dihydro-1,3-oxazol-5-yl)phenol
CID 84695684
3-cyclohexylphenol
CID 16036
4-(3-piperidin-4-ylphenyl)piperidine
CID 91123464
(3S)-3-(3-ethylphenyl)pyrrolidine
CID 130943916
3-(3-propan-2-ylphenyl)pyrrolidine
CID 58484109
3-(3-fluorophenyl)pyrrolidine;oxalic acid
CID 91623790
3-[3-(4-methylphenyl)phenyl]pyrrolidine
CID 82292012
5-hydroxy-2-pyrrolidin-3-ylbenzonitrile
CID 130001602

Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-3-ylphenol;hydrochloride?
The IUPAC name of 3-pyrrolidin-3-ylphenol;hydrochloride (CID 139593330) is 3-pyrrolidin-3-ylphenol;hydrochloride.
What is the SMILES notation for 3-pyrrolidin-3-ylphenol;hydrochloride?
The canonical SMILES for 3-pyrrolidin-3-ylphenol;hydrochloride is Cl.Oc1cccc(C2CCNC2)c1.
What is the InChIKey of 3-pyrrolidin-3-ylphenol;hydrochloride?
The InChIKey is KQQYBQCYWCUOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO.ClH/c12-10-3-1-2-8(6-10)9-4-5-11-7-9;/h1-3,6,9,11-12H,4-5,7H2;1H.
What are the key properties of 3-pyrrolidin-3-ylphenol;hydrochloride?
3-pyrrolidin-3-ylphenol;hydrochloride has a molecular weight of 199.68 g/mol, XLogP of 1.89, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-3-ylphenol;hydrochloride is sourced from PubChem (CID 139593330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).